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/test-a5eddb68/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-a5eddb68/inputs/seq.fa: 1
curr_seq: _CAGGGUAGACUCGCUCUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGGGUAGACUCGCUCUG
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 18 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: 95
n_atoms_counter: 95
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/test-a5eddb68/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-a5eddb68/inputs/seq.fa: 1
curr_seq: _CAGGGUAGACUCGCUCUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGGGUAGACUCGCUCUG
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 18 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: 95
n_atoms_counter: 95
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/test-a5eddb68/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-a5eddb68/inputs/seq.fa: 1
curr_seq: _CAGGGUAGACUCGCUCUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGGGUAGACUCGCUCUG
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 18 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: 95
n_atoms_counter: 95
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/test-a5eddb68/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-a5eddb68/inputs/seq.fa: 1
curr_seq: _CAGGGUAGACUCGCUCUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGGGUAGACUCGCUCUG
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 18 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: 95
n_atoms_counter: 95
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/test-a5eddb68/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-a5eddb68/inputs/seq.fa: 1
curr_seq: _CAGGGUAGACUCGCUCUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGGGUAGACUCGCUCUG
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 18 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: 95
n_atoms_counter: 95
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/test-a5eddb68/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-a5eddb68/inputs/seq.fa: 1
curr_seq: _CAGGGUAGACUCGCUCUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGGGUAGACUCGCUCUG
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 18 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: 95
n_atoms_counter: 95
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/test-a5eddb68/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-a5eddb68/inputs/seq.fa: 1
curr_seq: _CAGGGUAGACUCGCUCUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGGGUAGACUCGCUCUG
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 18 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: 95
n_atoms_counter: 95
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/test-a5eddb68/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-a5eddb68/inputs/seq.fa: 1
curr_seq: _CAGGGUAGACUCGCUCUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGGGUAGACUCGCUCUG
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 18 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: 95
n_atoms_counter: 95
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/test-a5eddb68/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-a5eddb68/inputs/seq.fa: 1
curr_seq: _CAGGGUAGACUCGCUCUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGGGUAGACUCGCUCUG
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 18 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: 95
n_atoms_counter: 95
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/test-a5eddb68/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-a5eddb68/inputs/seq.fa: 1
curr_seq: _CAGGGUAGACUCGCUCUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGGGUAGACUCGCUCUG
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 18 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: 95
n_atoms_counter: 95
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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: -67.660004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.660004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.660004 (E_RNA)
where:
Base-Base interactions energy: -0.555
where: short stacking energy: -0.555
Base-Backbone interact. energy: -0.000
local terms energy: -67.105319
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -15.118
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: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -67.660004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.660004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.660004 (E_RNA)
where:
Base-Base interactions energy: -0.555
where: short stacking energy: -0.555
Base-Backbone interact. energy: -0.000
local terms energy: -67.105319
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -67.660004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.660004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.660004 (E_RNA)
where:
Base-Base interactions energy: -0.555
where: short stacking energy: -0.555
Base-Backbone interact. energy: -0.000
local terms energy: -67.105319
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -15.118
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: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -67.660004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.660004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.660004 (E_RNA)
where:
Base-Base interactions energy: -0.555
where: short stacking energy: -0.555
Base-Backbone interact. energy: -0.000
local terms energy: -67.105319
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -15.118
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: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -67.660004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.660004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.660004 (E_RNA)
where:
Base-Base interactions energy: -0.555
where: short stacking energy: -0.555
Base-Backbone interact. energy: -0.000
local terms energy: -67.105319
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -67.660004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.660004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.660004 (E_RNA)
where:
Base-Base interactions energy: -0.555
where: short stacking energy: -0.555
Base-Backbone interact. energy: -0.000
local terms energy: -67.105319
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -15.118
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: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -67.660004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.660004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.660004 (E_RNA)
where:
Base-Base interactions energy: -0.555
where: short stacking energy: -0.555
Base-Backbone interact. energy: -0.000
local terms energy: -67.105319
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -15.118
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: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -67.660004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.660004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.660004 (E_RNA)
where:
Base-Base interactions energy: -0.555
where: short stacking energy: -0.555
Base-Backbone interact. energy: -0.000
local terms energy: -67.105319
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -15.118
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: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -67.660004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.660004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.660004 (E_RNA)
where:
Base-Base interactions energy: -0.555
where: short stacking energy: -0.555
Base-Backbone interact. energy: -0.000
local terms energy: -67.105319
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -15.118
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: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -67.660004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.660004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.660004 (E_RNA)
where:
Base-Base interactions energy: -0.555
where: short stacking energy: -0.555
Base-Backbone interact. energy: -0.000
local terms energy: -67.105319
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -15.118
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: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -146.353803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.353803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.353803 (E_RNA)
where:
Base-Base interactions energy: -79.082
where: short stacking energy: -54.409
Base-Backbone interact. energy: -0.825
local terms energy: -66.446749
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -13.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -122.498619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.498619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.498619 (E_RNA)
where:
Base-Base interactions energy: -62.976
where: short stacking energy: -52.253
Base-Backbone interact. energy: -0.039
local terms energy: -59.483705
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -8.008
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: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -104.426835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.426835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.426835 (E_RNA)
where:
Base-Base interactions energy: -58.258
where: short stacking energy: -26.501
Base-Backbone interact. energy: -0.153
local terms energy: -46.016005
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -10.351
flat angles P-C4'-P energy: -8.606
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -105.682685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.682685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.682685 (E_RNA)
where:
Base-Base interactions energy: -46.666
where: short stacking energy: -46.666
Base-Backbone interact. energy: -0.001
local terms energy: -59.015520
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -12.210
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -12.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -106.461741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.461741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.461741 (E_RNA)
where:
Base-Base interactions energy: -55.522
where: short stacking energy: -53.550
Base-Backbone interact. energy: -0.107
local terms energy: -50.832704
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -5.842
flat angles P-C4'-P energy: -7.063
tors. eta vs tors. theta energy: -12.222
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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -102.465317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.465317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.465317 (E_RNA)
where:
Base-Base interactions energy: -55.189
where: short stacking energy: -35.684
Base-Backbone interact. energy: -0.086
local terms energy: -47.190627
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -12.277
flat angles C4'-P-C4' energy: -10.742
flat angles P-C4'-P energy: -4.826
tors. eta vs tors. theta energy: -8.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -105.722033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.722033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.722033 (E_RNA)
where:
Base-Base interactions energy: -59.577
where: short stacking energy: -32.709
Base-Backbone interact. energy: -0.805
local terms energy: -45.339611
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -10.051
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -0.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -107.467625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.467625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.467625 (E_RNA)
where:
Base-Base interactions energy: -58.624
where: short stacking energy: -28.604
Base-Backbone interact. energy: -0.288
local terms energy: -48.555678
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -10.325
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -5.703
tors. eta vs tors. theta energy: -6.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -88.352603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.352603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.352603 (E_RNA)
where:
Base-Base interactions energy: -47.024
where: short stacking energy: -17.746
Base-Backbone interact. energy: -0.015
local terms energy: -41.313831
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -4.437
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -0.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -69.799887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.799887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.799887 (E_RNA)
where:
Base-Base interactions energy: -24.735
where: short stacking energy: -22.636
Base-Backbone interact. energy: -0.902
local terms energy: -44.163489
where:
bonds (distance) C4'-P energy: -7.135
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -0.127
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -158.421970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.421970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.421970 (E_RNA)
where:
Base-Base interactions energy: -99.982
where: short stacking energy: -42.311
Base-Backbone interact. energy: -0.079
local terms energy: -58.360809
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -10.779
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: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -132.963849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.963849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.963849 (E_RNA)
where:
Base-Base interactions energy: -69.064
where: short stacking energy: -56.340
Base-Backbone interact. energy: -0.054
local terms energy: -63.846415
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -11.981
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -13.940
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: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -133.776528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.776528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.776528 (E_RNA)
where:
Base-Base interactions energy: -84.906
where: short stacking energy: -42.074
Base-Backbone interact. energy: 0.077
local terms energy: -48.947683
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -10.390
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -6.737
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: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -129.912225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.912225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.912225 (E_RNA)
where:
Base-Base interactions energy: -75.625
where: short stacking energy: -42.816
Base-Backbone interact. energy: -0.490
local terms energy: -53.797360
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -6.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -91.151008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.151008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.151008 (E_RNA)
where:
Base-Base interactions energy: -44.828
where: short stacking energy: -30.803
Base-Backbone interact. energy: 0.616
local terms energy: -46.938823
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -10.017
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -2.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -132.473518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.473518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.473518 (E_RNA)
where:
Base-Base interactions energy: -78.468
where: short stacking energy: -37.945
Base-Backbone interact. energy: -0.561
local terms energy: -53.444074
where:
bonds (distance) C4'-P energy: -10.343
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -7.165
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: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -98.508422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.508422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.508422 (E_RNA)
where:
Base-Base interactions energy: -48.087
where: short stacking energy: -32.225
Base-Backbone interact. energy: -0.128
local terms energy: -50.293092
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -5.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -104.595446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.595446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.595446 (E_RNA)
where:
Base-Base interactions energy: -58.293
where: short stacking energy: -34.119
Base-Backbone interact. energy: -0.109
local terms energy: -46.192814
where:
bonds (distance) C4'-P energy: -8.840
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -9.960
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -6.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -76.824697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.824697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.824697 (E_RNA)
where:
Base-Base interactions energy: -36.186
where: short stacking energy: -36.186
Base-Backbone interact. energy: -0.014
local terms energy: -40.624658
where:
bonds (distance) C4'-P energy: -6.637
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -9.912
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -3.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -62.459043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.459043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.459043 (E_RNA)
where:
Base-Base interactions energy: -26.910
where: short stacking energy: -13.968
Base-Backbone interact. energy: 0.190
local terms energy: -35.738758
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -6.894
flat angles C4'-P-C4' energy: -9.649
flat angles P-C4'-P energy: -1.324
tors. eta vs tors. theta energy: -2.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -132.612603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.612603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.612603 (E_RNA)
where:
Base-Base interactions energy: -73.482
where: short stacking energy: -39.776
Base-Backbone interact. energy: -0.040
local terms energy: -59.090277
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -11.678
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -8.266
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: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -149.346596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.346596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.346596 (E_RNA)
where:
Base-Base interactions energy: -93.910
where: short stacking energy: -61.312
Base-Backbone interact. energy: -1.110
local terms energy: -54.326600
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -8.317
flat angles C4'-P-C4' energy: -10.777
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -14.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -156.024822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.024822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.024822 (E_RNA)
where:
Base-Base interactions energy: -96.205
where: short stacking energy: -48.757
Base-Backbone interact. energy: -0.189
local terms energy: -59.630437
where:
bonds (distance) C4'-P energy: -10.777
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -15.866
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: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -127.803148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.803148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.803148 (E_RNA)
where:
Base-Base interactions energy: -77.243
where: short stacking energy: -38.439
Base-Backbone interact. energy: -0.359
local terms energy: -50.201079
where:
bonds (distance) C4'-P energy: -9.599
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -7.011
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: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -139.221695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.221695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.221695 (E_RNA)
where:
Base-Base interactions energy: -88.829
where: short stacking energy: -49.639
Base-Backbone interact. energy: -0.006
local terms energy: -50.386571
where:
bonds (distance) C4'-P energy: -7.383
bonds (distance) P-C4' energy: -8.372
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -12.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -119.414425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.414425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.414425 (E_RNA)
where:
Base-Base interactions energy: -66.874
where: short stacking energy: -32.328
Base-Backbone interact. energy: -0.133
local terms energy: -52.407410
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -4.788
tors. eta vs tors. theta energy: -4.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -75.800733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.800733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.800733 (E_RNA)
where:
Base-Base interactions energy: -28.227
where: short stacking energy: -25.825
Base-Backbone interact. energy: -0.104
local terms energy: -47.470115
where:
bonds (distance) C4'-P energy: -6.966
bonds (distance) P-C4' energy: -11.890
flat angles C4'-P-C4' energy: -10.907
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -7.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -78.036841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.036841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.036841 (E_RNA)
where:
Base-Base interactions energy: -33.875
where: short stacking energy: -33.875
Base-Backbone interact. energy: -0.110
local terms energy: -44.052442
where:
bonds (distance) C4'-P energy: -3.542
bonds (distance) P-C4' energy: -9.637
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -5.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -73.277830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.277830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.277830 (E_RNA)
where:
Base-Base interactions energy: -35.228
where: short stacking energy: -35.228
Base-Backbone interact. energy: 2.550
local terms energy: -40.599805
where:
bonds (distance) C4'-P energy: -7.119
bonds (distance) P-C4' energy: -8.327
flat angles C4'-P-C4' energy: -10.135
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -6.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -78.629633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.629633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.629633 (E_RNA)
where:
Base-Base interactions energy: -37.915
where: short stacking energy: -34.503
Base-Backbone interact. energy: -0.011
local terms energy: -40.704460
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: 2.231
tors. eta vs tors. theta energy: -4.292
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: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -150.567855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.567855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.567855 (E_RNA)
where:
Base-Base interactions energy: -89.342
where: short stacking energy: -56.351
Base-Backbone interact. energy: -0.644
local terms energy: -60.582439
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -11.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -175.007508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.007508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.007508 (E_RNA)
where:
Base-Base interactions energy: -119.031
where: short stacking energy: -53.661
Base-Backbone interact. energy: -0.143
local terms energy: -55.833565
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -10.477
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -2.983
tors. eta vs tors. theta energy: -15.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -140.362233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.362233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.362233 (E_RNA)
where:
Base-Base interactions energy: -79.515
where: short stacking energy: -52.512
Base-Backbone interact. energy: -0.150
local terms energy: -60.697005
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -10.959
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: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -146.497824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.497824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.497824 (E_RNA)
where:
Base-Base interactions energy: -94.750
where: short stacking energy: -44.322
Base-Backbone interact. energy: -0.009
local terms energy: -51.738849
where:
bonds (distance) C4'-P energy: -7.072
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: -9.882
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: 5
Temperature: 1.100000
Total energy: -146.710360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.710360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.710360 (E_RNA)
where:
Base-Base interactions energy: -89.201
where: short stacking energy: -42.148
Base-Backbone interact. energy: 0.933
local terms energy: -58.442338
where:
bonds (distance) C4'-P energy: -10.899
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: -13.175
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: 6, replica: 4
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -167.823733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.823733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.823733 (E_RNA)
where:
Base-Base interactions energy: -105.972
where: short stacking energy: -54.449
Base-Backbone interact. energy: -0.344
local terms energy: -61.507409
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -14.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -85.407144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.407144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.407144 (E_RNA)
where:
Base-Base interactions energy: -39.892
where: short stacking energy: -26.706
Base-Backbone interact. energy: -0.222
local terms energy: -45.292800
where:
bonds (distance) C4'-P energy: -7.533
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -3.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -95.974989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.974989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.974989 (E_RNA)
where:
Base-Base interactions energy: -46.271
where: short stacking energy: -26.538
Base-Backbone interact. energy: -0.107
local terms energy: -49.597672
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -12.242
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: 0.184
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: 5
Temperature: 1.300000
Total energy: -83.159850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.159850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.159850 (E_RNA)
where:
Base-Base interactions energy: -37.651
where: short stacking energy: -37.651
Base-Backbone interact. energy: 0.985
local terms energy: -46.493459
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -6.632
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -6.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -70.134812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.134812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.134812 (E_RNA)
where:
Base-Base interactions energy: -18.400
where: short stacking energy: -18.400
Base-Backbone interact. energy: -0.561
local terms energy: -51.174269
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -9.950
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: 5
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -178.244636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.244636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.244636 (E_RNA)
where:
Base-Base interactions energy: -113.751
where: short stacking energy: -50.943
Base-Backbone interact. energy: -0.402
local terms energy: -64.092308
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -7.945
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: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -133.877433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.877433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.877433 (E_RNA)
where:
Base-Base interactions energy: -74.724
where: short stacking energy: -52.188
Base-Backbone interact. energy: -0.008
local terms energy: -59.145440
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -11.379
flat angles P-C4'-P energy: -7.364
tors. eta vs tors. theta energy: -14.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -163.389694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.389694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.389694 (E_RNA)
where:
Base-Base interactions energy: -114.044
where: short stacking energy: -41.720
Base-Backbone interact. energy: -0.303
local terms energy: -49.042710
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -6.938
flat angles P-C4'-P energy: -3.949
tors. eta vs tors. theta energy: -9.294
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: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -134.626747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.626747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.626747 (E_RNA)
where:
Base-Base interactions energy: -74.505
where: short stacking energy: -46.072
Base-Backbone interact. energy: -0.470
local terms energy: -59.652058
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -16.235
flat angles C4'-P-C4' energy: -11.011
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -9.037
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: 4
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -194.023169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.023169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.023169 (E_RNA)
where:
Base-Base interactions energy: -136.019
where: short stacking energy: -61.824
Base-Backbone interact. energy: -0.418
local terms energy: -57.585465
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -11.897
flat angles C4'-P-C4' energy: -9.417
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -14.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -158.069836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.069836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.069836 (E_RNA)
where:
Base-Base interactions energy: -99.116
where: short stacking energy: -36.932
Base-Backbone interact. energy: -0.521
local terms energy: -58.432320
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -11.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -80.300423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.300423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.300423 (E_RNA)
where:
Base-Base interactions energy: -37.073
where: short stacking energy: -31.825
Base-Backbone interact. energy: -0.148
local terms energy: -43.079516
where:
bonds (distance) C4'-P energy: -9.790
bonds (distance) P-C4' energy: -9.560
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -5.362
tors. eta vs tors. theta energy: -4.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -82.594161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.594161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.594161 (E_RNA)
where:
Base-Base interactions energy: -36.359
where: short stacking energy: -36.359
Base-Backbone interact. energy: -0.108
local terms energy: -46.127717
where:
bonds (distance) C4'-P energy: -4.837
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -5.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -83.832135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.832135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.832135 (E_RNA)
where:
Base-Base interactions energy: -37.278
where: short stacking energy: -30.178
Base-Backbone interact. energy: 1.778
local terms energy: -48.332278
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -4.912
tors. eta vs tors. theta energy: -4.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -70.812570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.812570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.812570 (E_RNA)
where:
Base-Base interactions energy: -24.779
where: short stacking energy: -16.059
Base-Backbone interact. energy: 0.180
local terms energy: -46.213906
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: 3.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -184.400556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.400556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.400556 (E_RNA)
where:
Base-Base interactions energy: -123.644
where: short stacking energy: -54.928
Base-Backbone interact. energy: 0.111
local terms energy: -60.867203
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -12.665
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: 7
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -174.012744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.012744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.012744 (E_RNA)
where:
Base-Base interactions energy: -114.790
where: short stacking energy: -57.306
Base-Backbone interact. energy: -0.495
local terms energy: -58.727764
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -10.382
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -5.923
tors. eta vs tors. theta energy: -16.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -120.932822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.932822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.932822 (E_RNA)
where:
Base-Base interactions energy: -64.619
where: short stacking energy: -34.225
Base-Backbone interact. energy: -0.662
local terms energy: -55.651821
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -6.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -201.230877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.230877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.230877 (E_RNA)
where:
Base-Base interactions energy: -141.355
where: short stacking energy: -68.067
Base-Backbone interact. energy: -0.982
local terms energy: -58.894398
where:
bonds (distance) C4'-P energy: -8.113
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -7.680
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: 5, replica: 1
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -146.653733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.653733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.653733 (E_RNA)
where:
Base-Base interactions energy: -87.442
where: short stacking energy: -41.595
Base-Backbone interact. energy: -0.027
local terms energy: -59.185065
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -11.092
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -7.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -170.762298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.762298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.762298 (E_RNA)
where:
Base-Base interactions energy: -116.166
where: short stacking energy: -39.370
Base-Backbone interact. energy: -0.118
local terms energy: -54.478734
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -10.278
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -9.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -121.367478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.367478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.367478 (E_RNA)
where:
Base-Base interactions energy: -72.147
where: short stacking energy: -36.884
Base-Backbone interact. energy: -0.208
local terms energy: -49.012325
where:
bonds (distance) C4'-P energy: -11.824
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -11.297
flat angles P-C4'-P energy: -4.707
tors. eta vs tors. theta energy: -7.673
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: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -91.608602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.608602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.608602 (E_RNA)
where:
Base-Base interactions energy: -35.907
where: short stacking energy: -35.907
Base-Backbone interact. energy: -0.084
local terms energy: -55.617531
where:
bonds (distance) C4'-P energy: -7.585
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -9.803
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: 9, replica: 6
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -76.618887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.618887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.618887 (E_RNA)
where:
Base-Base interactions energy: -44.914
where: short stacking energy: -25.797
Base-Backbone interact. energy: -0.121
local terms energy: -31.583725
where:
bonds (distance) C4'-P energy: -10.025
bonds (distance) P-C4' energy: -9.960
flat angles C4'-P-C4' energy: -9.648
flat angles P-C4'-P energy: -4.625
tors. eta vs tors. theta energy: 2.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -75.342088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.342088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.342088 (E_RNA)
where:
Base-Base interactions energy: -32.243
where: short stacking energy: -22.600
Base-Backbone interact. energy: -0.800
local terms energy: -42.298928
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -3.955
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: 1, replica: 7
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -173.843649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.843649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.843649 (E_RNA)
where:
Base-Base interactions energy: -107.459
where: short stacking energy: -51.963
Base-Backbone interact. energy: -1.132
local terms energy: -65.251871
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -15.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -174.014127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.014127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.014127 (E_RNA)
where:
Base-Base interactions energy: -110.639
where: short stacking energy: -63.634
Base-Backbone interact. energy: -0.000
local terms energy: -63.374475
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -14.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -203.691707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.691707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.691707 (E_RNA)
where:
Base-Base interactions energy: -137.101
where: short stacking energy: -64.270
Base-Backbone interact. energy: -0.600
local terms energy: -65.990557
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -19.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -141.221330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.221330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.221330 (E_RNA)
where:
Base-Base interactions energy: -78.469
where: short stacking energy: -46.010
Base-Backbone interact. energy: -0.029
local terms energy: -62.723152
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -10.046
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: 5, replica: 3
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -193.333001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.333001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.333001 (E_RNA)
where:
Base-Base interactions energy: -142.276
where: short stacking energy: -56.958
Base-Backbone interact. energy: 0.745
local terms energy: -51.802122
where:
bonds (distance) C4'-P energy: -10.224
bonds (distance) P-C4' energy: -10.242
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -5.877
tors. eta vs tors. theta energy: -14.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -142.049271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.049271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.049271 (E_RNA)
where:
Base-Base interactions energy: -83.437
where: short stacking energy: -43.566
Base-Backbone interact. energy: -0.102
local terms energy: -58.509866
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -12.587
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -11.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -135.345911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.345911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.345911 (E_RNA)
where:
Base-Base interactions energy: -84.172
where: short stacking energy: -40.290
Base-Backbone interact. energy: -0.302
local terms energy: -50.871662
where:
bonds (distance) C4'-P energy: -10.144
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -5.784
tors. eta vs tors. theta energy: -8.404
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: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -80.008175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.008175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.008175 (E_RNA)
where:
Base-Base interactions energy: -32.805
where: short stacking energy: -27.197
Base-Backbone interact. energy: -0.160
local terms energy: -47.044033
where:
bonds (distance) C4'-P energy: -9.539
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -12.760
flat angles P-C4'-P energy: -6.206
tors. eta vs tors. theta energy: -6.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -80.089352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.089352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.089352 (E_RNA)
where:
Base-Base interactions energy: -31.705
where: short stacking energy: -29.431
Base-Backbone interact. energy: -0.396
local terms energy: -47.987817
where:
bonds (distance) C4'-P energy: -8.011
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -3.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -74.761705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.761705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.761705 (E_RNA)
where:
Base-Base interactions energy: -30.937
where: short stacking energy: -30.937
Base-Backbone interact. energy: -0.102
local terms energy: -43.722254
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -9.157
flat angles C4'-P-C4' energy: -9.551
flat angles P-C4'-P energy: -3.926
tors. eta vs tors. theta energy: -8.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -179.240236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.240236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.240236 (E_RNA)
where:
Base-Base interactions energy: -116.493
where: short stacking energy: -58.960
Base-Backbone interact. energy: -1.760
local terms energy: -60.987712
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -8.707
flat angles C4'-P-C4' energy: -10.451
flat angles P-C4'-P energy: -9.044
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: 2, replica: 4
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -206.401661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.401661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.401661 (E_RNA)
where:
Base-Base interactions energy: -135.799
where: short stacking energy: -67.737
Base-Backbone interact. energy: -0.040
local terms energy: -70.563033
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -18.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -170.321799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.321799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.321799 (E_RNA)
where:
Base-Base interactions energy: -113.359
where: short stacking energy: -54.233
Base-Backbone interact. energy: -0.278
local terms energy: -56.684155
where:
bonds (distance) C4'-P energy: -6.716
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -14.305
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: 3
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -212.992609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.992609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.992609 (E_RNA)
where:
Base-Base interactions energy: -143.197
where: short stacking energy: -57.404
Base-Backbone interact. energy: -0.104
local terms energy: -69.690688
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -17.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -134.004193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.004193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.004193 (E_RNA)
where:
Base-Base interactions energy: -78.786
where: short stacking energy: -43.474
Base-Backbone interact. energy: -0.118
local terms energy: -55.099833
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -7.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -147.211131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.211131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.211131 (E_RNA)
where:
Base-Base interactions energy: -88.462
where: short stacking energy: -48.766
Base-Backbone interact. energy: -0.005
local terms energy: -58.743825
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -11.712
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -12.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -135.195005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.195005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.195005 (E_RNA)
where:
Base-Base interactions energy: -82.769
where: short stacking energy: -33.176
Base-Backbone interact. energy: -0.235
local terms energy: -52.190682
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -9.522
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -5.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -87.643871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.643871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.643871 (E_RNA)
where:
Base-Base interactions energy: -47.677
where: short stacking energy: -45.089
Base-Backbone interact. energy: -0.140
local terms energy: -39.826762
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -9.455
flat angles C4'-P-C4' energy: -6.446
flat angles P-C4'-P energy: -4.468
tors. eta vs tors. theta energy: -7.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -71.729790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.729790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.729790 (E_RNA)
where:
Base-Base interactions energy: -29.559
where: short stacking energy: -19.532
Base-Backbone interact. energy: -0.244
local terms energy: -41.927470
where:
bonds (distance) C4'-P energy: -6.377
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: -2.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -66.579979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.579979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.579979 (E_RNA)
where:
Base-Base interactions energy: -25.377
where: short stacking energy: -25.377
Base-Backbone interact. energy: -0.005
local terms energy: -41.197115
where:
bonds (distance) C4'-P energy: -11.069
bonds (distance) P-C4' energy: -10.352
flat angles C4'-P-C4' energy: -9.935
flat angles P-C4'-P energy: -3.783
tors. eta vs tors. theta energy: -6.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -208.569255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.569255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.569255 (E_RNA)
where:
Base-Base interactions energy: -138.495
where: short stacking energy: -63.540
Base-Backbone interact. energy: -0.032
local terms energy: -70.042046
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -18.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -173.427993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.427993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.427993 (E_RNA)
where:
Base-Base interactions energy: -110.312
where: short stacking energy: -61.091
Base-Backbone interact. energy: -0.023
local terms energy: -63.093112
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -4.279
tors. eta vs tors. theta energy: -17.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -206.890685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.890685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.890685 (E_RNA)
where:
Base-Base interactions energy: -139.319
where: short stacking energy: -60.196
Base-Backbone interact. energy: -0.002
local terms energy: -67.570487
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -17.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -169.600608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.600608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.600608 (E_RNA)
where:
Base-Base interactions energy: -118.594
where: short stacking energy: -50.133
Base-Backbone interact. energy: -0.129
local terms energy: -50.878152
where:
bonds (distance) C4'-P energy: -8.401
bonds (distance) P-C4' energy: -11.872
flat angles C4'-P-C4' energy: -8.747
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -13.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -145.044182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.044182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.044182 (E_RNA)
where:
Base-Base interactions energy: -85.870
where: short stacking energy: -41.939
Base-Backbone interact. energy: -0.002
local terms energy: -59.172126
where:
bonds (distance) C4'-P energy: -10.514
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -13.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -144.367787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.367787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.367787 (E_RNA)
where:
Base-Base interactions energy: -85.641
where: short stacking energy: -47.972
Base-Backbone interact. energy: -0.001
local terms energy: -58.725158
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -12.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -147.929305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.929305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.929305 (E_RNA)
where:
Base-Base interactions energy: -92.420
where: short stacking energy: -41.508
Base-Backbone interact. energy: -0.292
local terms energy: -55.218045
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -11.860
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -10.081
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: 8, replica: 9
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -164.189172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.189172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.189172 (E_RNA)
where:
Base-Base interactions energy: -105.858
where: short stacking energy: -48.485
Base-Backbone interact. energy: -0.001
local terms energy: -58.329850
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -9.744
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -12.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -75.809714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.809714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.809714 (E_RNA)
where:
Base-Base interactions energy: -36.202
where: short stacking energy: -31.452
Base-Backbone interact. energy: -0.116
local terms energy: -39.491949
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -9.220
flat angles C4'-P-C4' energy: -9.335
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -4.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -72.523640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.523640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.523640 (E_RNA)
where:
Base-Base interactions energy: -25.351
where: short stacking energy: -20.634
Base-Backbone interact. energy: -0.051
local terms energy: -47.121834
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -10.457
flat angles P-C4'-P energy: -4.663
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: 1, replica: 4
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -214.323106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.323106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.323106 (E_RNA)
where:
Base-Base interactions energy: -144.473
where: short stacking energy: -62.886
Base-Backbone interact. energy: -0.001
local terms energy: -69.849178
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: -17.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -204.203146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.203146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.203146 (E_RNA)
where:
Base-Base interactions energy: -139.423
where: short stacking energy: -60.435
Base-Backbone interact. energy: -0.162
local terms energy: -64.617457
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -12.392
flat angles C4'-P-C4' energy: -10.877
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -16.118
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: 7
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -161.966955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.966955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.966955 (E_RNA)
where:
Base-Base interactions energy: -102.587
where: short stacking energy: -49.766
Base-Backbone interact. energy: -0.361
local terms energy: -59.019071
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -5.513
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: 4, replica: 5
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -177.839300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.839300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.839300 (E_RNA)
where:
Base-Base interactions energy: -116.250
where: short stacking energy: -52.204
Base-Backbone interact. energy: 0.110
local terms energy: -61.699364
where:
bonds (distance) C4'-P energy: -8.750
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -12.447
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -14.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -152.789528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.789528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.789528 (E_RNA)
where:
Base-Base interactions energy: -101.871
where: short stacking energy: -47.405
Base-Backbone interact. energy: 0.075
local terms energy: -50.993741
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -10.966
flat angles P-C4'-P energy: -0.838
tors. eta vs tors. theta energy: -11.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -149.716145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.716145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.716145 (E_RNA)
where:
Base-Base interactions energy: -95.550
where: short stacking energy: -43.373
Base-Backbone interact. energy: -0.033
local terms energy: -54.132669
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -10.098
flat angles C4'-P-C4' energy: -11.286
flat angles P-C4'-P energy: -5.937
tors. eta vs tors. theta energy: -12.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -130.691650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.691650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.691650 (E_RNA)
where:
Base-Base interactions energy: -76.638
where: short stacking energy: -37.002
Base-Backbone interact. energy: -0.265
local terms energy: -53.788096
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -6.366
tors. eta vs tors. theta energy: -8.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -193.082781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.082781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.082781 (E_RNA)
where:
Base-Base interactions energy: -128.846
where: short stacking energy: -49.946
Base-Backbone interact. energy: -1.504
local terms energy: -62.732658
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -9.466
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -17.404
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: 9, replica: 6
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -79.231383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.231383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.231383 (E_RNA)
where:
Base-Base interactions energy: -38.418
where: short stacking energy: -28.248
Base-Backbone interact. energy: -0.281
local terms energy: -40.532257
where:
bonds (distance) C4'-P energy: -8.187
bonds (distance) P-C4' energy: -10.973
flat angles C4'-P-C4' energy: -10.469
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -2.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -79.193876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.193876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.193876 (E_RNA)
where:
Base-Base interactions energy: -36.444
where: short stacking energy: -22.388
Base-Backbone interact. energy: -0.328
local terms energy: -42.421154
where:
bonds (distance) C4'-P energy: -9.968
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -6.821
tors. eta vs tors. theta energy: -0.799
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: 4
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -209.081774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.081774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.081774 (E_RNA)
where:
Base-Base interactions energy: -144.753
where: short stacking energy: -68.966
Base-Backbone interact. energy: -0.001
local terms energy: -64.327959
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -15.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -210.838068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.838068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.838068 (E_RNA)
where:
Base-Base interactions energy: -140.878
where: short stacking energy: -69.508
Base-Backbone interact. energy: 0.097
local terms energy: -70.056489
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -15.746
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -17.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -185.571342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.571342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.571342 (E_RNA)
where:
Base-Base interactions energy: -118.931
where: short stacking energy: -54.568
Base-Backbone interact. energy: 0.744
local terms energy: -67.384387
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -14.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -161.604524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.604524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.604524 (E_RNA)
where:
Base-Base interactions energy: -97.440
where: short stacking energy: -46.285
Base-Backbone interact. energy: -0.635
local terms energy: -63.528952
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -5.923
tors. eta vs tors. theta energy: -12.878
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: 1
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -161.732958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.732958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.732958 (E_RNA)
where:
Base-Base interactions energy: -103.050
where: short stacking energy: -48.516
Base-Backbone interact. energy: -0.010
local terms energy: -58.673463
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -10.576
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -4.452
tors. eta vs tors. theta energy: -13.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -140.429601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.429601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.429601 (E_RNA)
where:
Base-Base interactions energy: -85.121
where: short stacking energy: -47.270
Base-Backbone interact. energy: -0.034
local terms energy: -55.274514
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -12.216
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -4.077
tors. eta vs tors. theta energy: -11.809
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: 9
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -195.483957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.483957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.483957 (E_RNA)
where:
Base-Base interactions energy: -140.692
where: short stacking energy: -54.343
Base-Backbone interact. energy: -0.002
local terms energy: -54.789831
where:
bonds (distance) C4'-P energy: -8.853
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -10.254
flat angles P-C4'-P energy: -3.773
tors. eta vs tors. theta energy: -16.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -135.603092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.603092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.603092 (E_RNA)
where:
Base-Base interactions energy: -91.114
where: short stacking energy: -40.798
Base-Backbone interact. energy: 0.095
local terms energy: -44.583570
where:
bonds (distance) C4'-P energy: -8.244
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -5.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -79.875312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.875312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.875312 (E_RNA)
where:
Base-Base interactions energy: -23.253
where: short stacking energy: -23.253
Base-Backbone interact. energy: -0.096
local terms energy: -56.526217
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -9.313
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: 6
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -68.361604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.361604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.361604 (E_RNA)
where:
Base-Base interactions energy: -30.574
where: short stacking energy: -27.518
Base-Backbone interact. energy: 1.659
local terms energy: -39.446693
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -10.750
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: 1.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -214.618580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.618580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.618580 (E_RNA)
where:
Base-Base interactions energy: -143.931
where: short stacking energy: -70.070
Base-Backbone interact. energy: -0.006
local terms energy: -70.682117
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -16.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -208.664536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.664536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.664536 (E_RNA)
where:
Base-Base interactions energy: -141.992
where: short stacking energy: -67.042
Base-Backbone interact. energy: -0.001
local terms energy: -66.671607
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -12.456
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -18.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -173.820986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.820986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.820986 (E_RNA)
where:
Base-Base interactions energy: -111.277
where: short stacking energy: -52.882
Base-Backbone interact. energy: -0.018
local terms energy: -62.525950
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -11.499
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -14.635
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: 1
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -148.325810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.325810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.325810 (E_RNA)
where:
Base-Base interactions energy: -91.481
where: short stacking energy: -42.040
Base-Backbone interact. energy: -0.133
local terms energy: -56.712276
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -10.268
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: 7
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -142.585648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.585648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.585648 (E_RNA)
where:
Base-Base interactions energy: -91.875
where: short stacking energy: -33.475
Base-Backbone interact. energy: -0.006
local terms energy: -50.704069
where:
bonds (distance) C4'-P energy: -7.711
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -9.608
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: 6, replica: 9
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -186.026758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.026758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.026758 (E_RNA)
where:
Base-Base interactions energy: -134.840
where: short stacking energy: -59.497
Base-Backbone interact. energy: -0.635
local terms energy: -50.551597
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -7.361
flat angles C4'-P-C4' energy: -6.669
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -13.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -146.205062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.205062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.205062 (E_RNA)
where:
Base-Base interactions energy: -91.965
where: short stacking energy: -48.465
Base-Backbone interact. energy: -0.050
local terms energy: -54.190233
where:
bonds (distance) C4'-P energy: -5.515
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: -11.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -96.705942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.705942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.705942 (E_RNA)
where:
Base-Base interactions energy: -61.443
where: short stacking energy: -33.791
Base-Backbone interact. energy: -0.081
local terms energy: -35.182438
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -8.602
flat angles P-C4'-P energy: -2.688
tors. eta vs tors. theta energy: -2.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -76.687497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.687497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.687497 (E_RNA)
where:
Base-Base interactions energy: -35.038
where: short stacking energy: -25.683
Base-Backbone interact. energy: -0.073
local terms energy: -41.576670
where:
bonds (distance) C4'-P energy: -8.177
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -3.539
tors. eta vs tors. theta energy: -2.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -91.385420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.385420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.385420 (E_RNA)
where:
Base-Base interactions energy: -37.145
where: short stacking energy: -27.351
Base-Backbone interact. energy: -0.360
local terms energy: -53.879725
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -6.028
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: 1, replica: 3
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -212.908499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.908499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.908499 (E_RNA)
where:
Base-Base interactions energy: -147.513
where: short stacking energy: -67.860
Base-Backbone interact. energy: -0.262
local terms energy: -65.133373
where:
bonds (distance) C4'-P energy: -9.893
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -8.477
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: 2, replica: 4
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -210.196461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.196461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.196461 (E_RNA)
where:
Base-Base interactions energy: -140.296
where: short stacking energy: -58.491
Base-Backbone interact. energy: -1.283
local terms energy: -68.617599
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -14.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -182.350249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.350249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.350249 (E_RNA)
where:
Base-Base interactions energy: -120.812
where: short stacking energy: -53.644
Base-Backbone interact. energy: -0.003
local terms energy: -61.534808
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -15.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -172.491165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.491165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.491165 (E_RNA)
where:
Base-Base interactions energy: -110.650
where: short stacking energy: -60.399
Base-Backbone interact. energy: -0.100
local terms energy: -61.741260
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -8.332
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: 5, replica: 9
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -197.810355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.810355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.810355 (E_RNA)
where:
Base-Base interactions energy: -137.023
where: short stacking energy: -55.743
Base-Backbone interact. energy: -0.035
local terms energy: -60.751905
where:
bonds (distance) C4'-P energy: -8.041
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -16.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -133.362140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.362140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.362140 (E_RNA)
where:
Base-Base interactions energy: -78.099
where: short stacking energy: -38.061
Base-Backbone interact. energy: -0.826
local terms energy: -54.437759
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -6.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -137.573894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.573894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.573894 (E_RNA)
where:
Base-Base interactions energy: -87.447
where: short stacking energy: -46.223
Base-Backbone interact. energy: -0.060
local terms energy: -50.066927
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -10.116
flat angles C4'-P-C4' energy: -11.133
flat angles P-C4'-P energy: -3.271
tors. eta vs tors. theta energy: -13.140
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: 10
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -117.430954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.430954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.430954 (E_RNA)
where:
Base-Base interactions energy: -75.855
where: short stacking energy: -33.383
Base-Backbone interact. energy: 0.337
local terms energy: -41.913053
where:
bonds (distance) C4'-P energy: -8.390
bonds (distance) P-C4' energy: -11.477
flat angles C4'-P-C4' energy: -10.111
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -4.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -76.367494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.367494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.367494 (E_RNA)
where:
Base-Base interactions energy: -33.383
where: short stacking energy: -20.307
Base-Backbone interact. energy: -0.217
local terms energy: -42.767499
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -8.325
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -5.949
tors. eta vs tors. theta energy: -3.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -68.529182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.529182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.529182 (E_RNA)
where:
Base-Base interactions energy: -22.633
where: short stacking energy: -22.633
Base-Backbone interact. energy: -0.018
local terms energy: -45.878245
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -9.636
flat angles P-C4'-P energy: -7.778
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: 3
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -210.496351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.496351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.496351 (E_RNA)
where:
Base-Base interactions energy: -142.575
where: short stacking energy: -69.708
Base-Backbone interact. energy: -0.712
local terms energy: -67.210088
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -12.202
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -18.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -210.050884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.050884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.050884 (E_RNA)
where:
Base-Base interactions energy: -142.174
where: short stacking energy: -67.954
Base-Backbone interact. energy: -0.356
local terms energy: -67.520081
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -11.091
flat angles P-C4'-P energy: -10.828
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: 3, replica: 5
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -175.473757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.473757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.473757 (E_RNA)
where:
Base-Base interactions energy: -115.646
where: short stacking energy: -53.528
Base-Backbone interact. energy: -0.099
local terms energy: -59.729124
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -9.309
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -9.587
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: 4, replica: 9
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -209.336431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.336431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.336431 (E_RNA)
where:
Base-Base interactions energy: -148.313
where: short stacking energy: -60.441
Base-Backbone interact. energy: -1.752
local terms energy: -59.270659
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -10.417
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -13.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -152.403587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.403587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.403587 (E_RNA)
where:
Base-Base interactions energy: -92.641
where: short stacking energy: -38.382
Base-Backbone interact. energy: -0.575
local terms energy: -59.188041
where:
bonds (distance) C4'-P energy: -8.572
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -11.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -143.349361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.349361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.349361 (E_RNA)
where:
Base-Base interactions energy: -87.137
where: short stacking energy: -47.139
Base-Backbone interact. energy: -0.040
local terms energy: -56.171615
where:
bonds (distance) C4'-P energy: -10.636
bonds (distance) P-C4' energy: -9.475
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -11.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -126.486445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.486445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.486445 (E_RNA)
where:
Base-Base interactions energy: -81.855
where: short stacking energy: -39.853
Base-Backbone interact. energy: -0.040
local terms energy: -44.590840
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -7.834
flat angles C4'-P-C4' energy: -10.338
flat angles P-C4'-P energy: -2.920
tors. eta vs tors. theta energy: -11.917
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: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -81.978711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.978711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.978711 (E_RNA)
where:
Base-Base interactions energy: -34.279
where: short stacking energy: -22.969
Base-Backbone interact. energy: -0.034
local terms energy: -47.665900
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -9.788
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -2.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -77.731352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.731352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.731352 (E_RNA)
where:
Base-Base interactions energy: -41.317
where: short stacking energy: -29.539
Base-Backbone interact. energy: -0.182
local terms energy: -36.232725
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -8.037
flat angles C4'-P-C4' energy: -9.606
flat angles P-C4'-P energy: -1.960
tors. eta vs tors. theta energy: -5.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -71.317517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.317517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.317517 (E_RNA)
where:
Base-Base interactions energy: -32.359
where: short stacking energy: -25.904
Base-Backbone interact. energy: -0.085
local terms energy: -38.873424
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -10.506
flat angles C4'-P-C4' energy: -9.986
flat angles P-C4'-P energy: -4.450
tors. eta vs tors. theta energy: -0.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -217.994965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.994965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.994965 (E_RNA)
where:
Base-Base interactions energy: -144.532
where: short stacking energy: -67.595
Base-Backbone interact. energy: -0.000
local terms energy: -73.462717
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -18.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -208.638616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.638616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.638616 (E_RNA)
where:
Base-Base interactions energy: -144.474
where: short stacking energy: -61.648
Base-Backbone interact. energy: -0.035
local terms energy: -64.129460
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -13.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -207.797658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.797658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.797658 (E_RNA)
where:
Base-Base interactions energy: -148.149
where: short stacking energy: -58.111
Base-Backbone interact. energy: -0.520
local terms energy: -59.128694
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -12.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -161.264395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.264395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.264395 (E_RNA)
where:
Base-Base interactions energy: -105.920
where: short stacking energy: -45.285
Base-Backbone interact. energy: -0.026
local terms energy: -55.318078
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -4.623
tors. eta vs tors. theta energy: -12.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -145.400325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.400325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.400325 (E_RNA)
where:
Base-Base interactions energy: -91.305
where: short stacking energy: -42.169
Base-Backbone interact. energy: -0.297
local terms energy: -53.798493
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -6.664
tors. eta vs tors. theta energy: -10.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -154.760288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.760288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.760288 (E_RNA)
where:
Base-Base interactions energy: -95.555
where: short stacking energy: -49.988
Base-Backbone interact. energy: -0.004
local terms energy: -59.201203
where:
bonds (distance) C4'-P energy: -11.783
bonds (distance) P-C4' energy: -8.858
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -13.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -81.428224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.428224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.428224 (E_RNA)
where:
Base-Base interactions energy: -31.135
where: short stacking energy: -26.707
Base-Backbone interact. energy: -0.226
local terms energy: -50.067436
where:
bonds (distance) C4'-P energy: -8.612
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -2.628
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: 7
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -117.250570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.250570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.250570 (E_RNA)
where:
Base-Base interactions energy: -73.102
where: short stacking energy: -39.999
Base-Backbone interact. energy: -0.372
local terms energy: -43.776255
where:
bonds (distance) C4'-P energy: -9.191
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -3.632
tors. eta vs tors. theta energy: -6.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -75.474227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.474227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.474227 (E_RNA)
where:
Base-Base interactions energy: -41.200
where: short stacking energy: -21.113
Base-Backbone interact. energy: -0.076
local terms energy: -34.197492
where:
bonds (distance) C4'-P energy: -9.595
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -10.546
flat angles P-C4'-P energy: -1.222
tors. eta vs tors. theta energy: 0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -82.669879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.669879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.669879 (E_RNA)
where:
Base-Base interactions energy: -36.523
where: short stacking energy: -30.237
Base-Backbone interact. energy: -0.119
local terms energy: -46.028632
where:
bonds (distance) C4'-P energy: -10.035
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -11.526
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -5.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -211.862657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.862657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.862657 (E_RNA)
where:
Base-Base interactions energy: -142.222
where: short stacking energy: -68.129
Base-Backbone interact. energy: -0.093
local terms energy: -69.548019
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -19.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -206.587190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.587190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.587190 (E_RNA)
where:
Base-Base interactions energy: -140.827
where: short stacking energy: -62.991
Base-Backbone interact. energy: -0.065
local terms energy: -65.695200
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -17.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -195.236879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.236879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.236879 (E_RNA)
where:
Base-Base interactions energy: -131.240
where: short stacking energy: -60.551
Base-Backbone interact. energy: -0.020
local terms energy: -63.976907
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -13.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -157.584552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.584552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.584552 (E_RNA)
where:
Base-Base interactions energy: -107.299
where: short stacking energy: -48.562
Base-Backbone interact. energy: -0.044
local terms energy: -50.241688
where:
bonds (distance) C4'-P energy: -8.630
bonds (distance) P-C4' energy: -10.550
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -5.172
tors. eta vs tors. theta energy: -11.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -160.500066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.500066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.500066 (E_RNA)
where:
Base-Base interactions energy: -99.866
where: short stacking energy: -48.405
Base-Backbone interact. energy: -1.210
local terms energy: -59.423856
where:
bonds (distance) C4'-P energy: -9.813
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -12.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -152.295038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.295038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.295038 (E_RNA)
where:
Base-Base interactions energy: -100.615
where: short stacking energy: -37.816
Base-Backbone interact. energy: -0.034
local terms energy: -51.645722
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -10.831
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -6.144
tors. eta vs tors. theta energy: -8.730
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: 10
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -88.680943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.680943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.680943 (E_RNA)
where:
Base-Base interactions energy: -29.243
where: short stacking energy: -18.979
Base-Backbone interact. energy: -0.385
local terms energy: -59.053036
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -7.168
tors. eta vs tors. theta energy: -7.555
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: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -72.706670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.706670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.706670 (E_RNA)
where:
Base-Base interactions energy: -26.907
where: short stacking energy: -23.934
Base-Backbone interact. energy: 0.256
local terms energy: -46.055978
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -6.549
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -2.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -82.119553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.119553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.119553 (E_RNA)
where:
Base-Base interactions energy: -34.417
where: short stacking energy: -26.272
Base-Backbone interact. energy: -0.205
local terms energy: -47.497564
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -11.035
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -2.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -73.706071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.706071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.706071 (E_RNA)
where:
Base-Base interactions energy: -35.540
where: short stacking energy: -35.540
Base-Backbone interact. energy: -0.272
local terms energy: -37.893401
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -8.911
flat angles C4'-P-C4' energy: -7.429
flat angles P-C4'-P energy: -3.980
tors. eta vs tors. theta energy: -7.226
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: 4
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -210.265510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.265510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.265510 (E_RNA)
where:
Base-Base interactions energy: -145.278
where: short stacking energy: -68.092
Base-Backbone interact. energy: -0.292
local terms energy: -64.694957
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -16.700
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: 18
Temperature: 0.950000
Total energy: -208.357383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.357383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.357383 (E_RNA)
where:
Base-Base interactions energy: -141.812
where: short stacking energy: -66.291
Base-Backbone interact. energy: -0.000
local terms energy: -66.544954
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -4.707
tors. eta vs tors. theta energy: -18.489
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: 9
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -202.721368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.721368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.721368 (E_RNA)
where:
Base-Base interactions energy: -133.852
where: short stacking energy: -61.468
Base-Backbone interact. energy: -0.133
local terms energy: -68.736876
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -15.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -151.385442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.385442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.385442 (E_RNA)
where:
Base-Base interactions energy: -89.500
where: short stacking energy: -31.381
Base-Backbone interact. energy: -0.154
local terms energy: -61.731277
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -10.761
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: 5
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -186.175153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.175153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.175153 (E_RNA)
where:
Base-Base interactions energy: -127.153
where: short stacking energy: -53.724
Base-Backbone interact. energy: -1.112
local terms energy: -57.910742
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -10.651
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -12.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -132.587337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.587337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.587337 (E_RNA)
where:
Base-Base interactions energy: -89.315
where: short stacking energy: -35.898
Base-Backbone interact. energy: -0.349
local terms energy: -42.923952
where:
bonds (distance) C4'-P energy: -8.940
bonds (distance) P-C4' energy: -12.493
flat angles C4'-P-C4' energy: -10.319
flat angles P-C4'-P energy: -4.357
tors. eta vs tors. theta energy: -6.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -88.406360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.406360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.406360 (E_RNA)
where:
Base-Base interactions energy: -49.265
where: short stacking energy: -25.716
Base-Backbone interact. energy: -0.223
local terms energy: -38.918683
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -9.104
flat angles P-C4'-P energy: -4.810
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: 8, replica: 8
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -77.548796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.548796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.548796 (E_RNA)
where:
Base-Base interactions energy: -34.273
where: short stacking energy: -32.314
Base-Backbone interact. energy: -0.046
local terms energy: -43.229595
where:
bonds (distance) C4'-P energy: -8.423
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -6.393
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -5.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -82.569448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.569448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.569448 (E_RNA)
where:
Base-Base interactions energy: -44.886
where: short stacking energy: -11.006
Base-Backbone interact. energy: -0.268
local terms energy: -37.415376
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -7.303
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: 5.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -72.210014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.210014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.210014 (E_RNA)
where:
Base-Base interactions energy: -31.560
where: short stacking energy: -31.760
Base-Backbone interact. energy: -0.138
local terms energy: -40.511567
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -8.157
flat angles C4'-P-C4' energy: -9.349
flat angles P-C4'-P energy: -4.942
tors. eta vs tors. theta energy: -6.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -213.016954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.016954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.016954 (E_RNA)
where:
Base-Base interactions energy: -144.657
where: short stacking energy: -64.762
Base-Backbone interact. energy: -1.813
local terms energy: -66.547176
where:
bonds (distance) C4'-P energy: -10.015
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -18.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -203.885275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.885275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.885275 (E_RNA)
where:
Base-Base interactions energy: -145.664
where: short stacking energy: -58.696
Base-Backbone interact. energy: -0.001
local terms energy: -58.219830
where:
bonds (distance) C4'-P energy: -8.161
bonds (distance) P-C4' energy: -10.676
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -15.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -204.448606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.448606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.448606 (E_RNA)
where:
Base-Base interactions energy: -135.679
where: short stacking energy: -64.195
Base-Backbone interact. energy: -0.301
local terms energy: -68.468589
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -19.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -194.710592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.710592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.710592 (E_RNA)
where:
Base-Base interactions energy: -132.783
where: short stacking energy: -54.355
Base-Backbone interact. energy: -0.240
local terms energy: -61.687466
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -5.377
tors. eta vs tors. theta energy: -16.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -145.807289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.807289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.807289 (E_RNA)
where:
Base-Base interactions energy: -89.640
where: short stacking energy: -32.105
Base-Backbone interact. energy: -0.240
local terms energy: -55.926808
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -8.286
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: 6, replica: 10
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -90.359793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.359793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.359793 (E_RNA)
where:
Base-Base interactions energy: -43.295
where: short stacking energy: -32.301
Base-Backbone interact. energy: -0.049
local terms energy: -47.014988
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -9.855
flat angles P-C4'-P energy: -5.106
tors. eta vs tors. theta energy: -5.432
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: 1
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -89.221449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.221449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.221449 (E_RNA)
where:
Base-Base interactions energy: -42.944
where: short stacking energy: -27.684
Base-Backbone interact. energy: 0.136
local terms energy: -46.412936
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -10.596
flat angles P-C4'-P energy: -3.418
tors. eta vs tors. theta energy: -5.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -91.566063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.566063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.566063 (E_RNA)
where:
Base-Base interactions energy: -54.340
where: short stacking energy: -16.238
Base-Backbone interact. energy: -0.148
local terms energy: -37.078457
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -12.023
flat angles C4'-P-C4' energy: -10.910
flat angles P-C4'-P energy: -7.097
tors. eta vs tors. theta energy: 4.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -84.663212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.663212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.663212 (E_RNA)
where:
Base-Base interactions energy: -36.146
where: short stacking energy: -36.146
Base-Backbone interact. energy: 0.119
local terms energy: -48.635935
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -10.940
flat angles C4'-P-C4' energy: -11.563
flat angles P-C4'-P energy: -4.604
tors. eta vs tors. theta energy: -9.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -66.076586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.076586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.076586 (E_RNA)
where:
Base-Base interactions energy: -18.928
where: short stacking energy: -18.412
Base-Backbone interact. energy: -0.327
local terms energy: -46.822022
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -9.337
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -1.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -212.275849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.275849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.275849 (E_RNA)
where:
Base-Base interactions energy: -147.539
where: short stacking energy: -60.392
Base-Backbone interact. energy: -0.215
local terms energy: -64.522465
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -12.784
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -15.076
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: 4
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -212.867810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.867810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.867810 (E_RNA)
where:
Base-Base interactions energy: -145.695
where: short stacking energy: -69.486
Base-Backbone interact. energy: -1.358
local terms energy: -65.815782
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -9.016
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: 3, replica: 5
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -202.699270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.699270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.699270 (E_RNA)
where:
Base-Base interactions energy: -136.979
where: short stacking energy: -63.887
Base-Backbone interact. energy: -0.000
local terms energy: -65.720265
where:
bonds (distance) C4'-P energy: -9.896
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -16.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -196.823615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.823615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.823615 (E_RNA)
where:
Base-Base interactions energy: -136.473
where: short stacking energy: -60.354
Base-Backbone interact. energy: -0.007
local terms energy: -60.343551
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -12.473
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -16.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -148.552634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.552634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.552634 (E_RNA)
where:
Base-Base interactions energy: -91.488
where: short stacking energy: -45.755
Base-Backbone interact. energy: -0.036
local terms energy: -57.028986
where:
bonds (distance) C4'-P energy: -9.593
bonds (distance) P-C4' energy: -15.172
flat angles C4'-P-C4' energy: -11.452
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -11.877
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: 10
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -96.232506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.232506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.232506 (E_RNA)
where:
Base-Base interactions energy: -44.882
where: short stacking energy: -44.882
Base-Backbone interact. energy: -0.094
local terms energy: -51.257038
where:
bonds (distance) C4'-P energy: -6.532
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -7.888
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -12.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -85.739580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.739580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.739580 (E_RNA)
where:
Base-Base interactions energy: -37.553
where: short stacking energy: -37.553
Base-Backbone interact. energy: -0.080
local terms energy: -48.106393
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -3.514
tors. eta vs tors. theta energy: -5.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -86.260712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.260712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.260712 (E_RNA)
where:
Base-Base interactions energy: -43.653
where: short stacking energy: -33.470
Base-Backbone interact. energy: -0.036
local terms energy: -42.572317
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -10.477
flat angles C4'-P-C4' energy: -9.678
flat angles P-C4'-P energy: -5.834
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: 9, replica: 7
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -77.057478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.057478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.057478 (E_RNA)
where:
Base-Base interactions energy: -27.446
where: short stacking energy: -26.002
Base-Backbone interact. energy: -0.141
local terms energy: -49.470802
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -14.323
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -0.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -73.320303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.320303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.320303 (E_RNA)
where:
Base-Base interactions energy: -26.924
where: short stacking energy: -26.924
Base-Backbone interact. energy: -0.002
local terms energy: -46.395063
where:
bonds (distance) C4'-P energy: -7.325
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -9.654
flat angles P-C4'-P energy: -8.411
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: 1, replica: 9
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -217.057192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.057192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.057192 (E_RNA)
where:
Base-Base interactions energy: -148.605
where: short stacking energy: -63.254
Base-Backbone interact. energy: -0.399
local terms energy: -68.053816
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -18.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -206.696116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.696116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.696116 (E_RNA)
where:
Base-Base interactions energy: -139.274
where: short stacking energy: -61.345
Base-Backbone interact. energy: -0.040
local terms energy: -67.381641
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -13.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -211.960342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.960342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.960342 (E_RNA)
where:
Base-Base interactions energy: -145.152
where: short stacking energy: -70.166
Base-Backbone interact. energy: -0.001
local terms energy: -66.807151
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -20.793
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: 4, replica: 3
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -204.870379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.870379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.870379 (E_RNA)
where:
Base-Base interactions energy: -136.955
where: short stacking energy: -62.612
Base-Backbone interact. energy: -0.194
local terms energy: -67.721507
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -18.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -153.917193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.917193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.917193 (E_RNA)
where:
Base-Base interactions energy: -95.958
where: short stacking energy: -46.677
Base-Backbone interact. energy: -0.050
local terms energy: -57.909404
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -10.505
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -10.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -90.115490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.115490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.115490 (E_RNA)
where:
Base-Base interactions energy: -34.442
where: short stacking energy: -34.442
Base-Backbone interact. energy: -0.010
local terms energy: -55.663425
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -11.540
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -8.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -76.232019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.232019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.232019 (E_RNA)
where:
Base-Base interactions energy: -27.208
where: short stacking energy: -20.802
Base-Backbone interact. energy: 1.375
local terms energy: -50.398979
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -11.851
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -0.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -74.176984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.176984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.176984 (E_RNA)
where:
Base-Base interactions energy: -26.560
where: short stacking energy: -26.560
Base-Backbone interact. energy: 0.737
local terms energy: -48.353986
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -5.263
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -10.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -74.592444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.592444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.592444 (E_RNA)
where:
Base-Base interactions energy: -28.006
where: short stacking energy: -16.279
Base-Backbone interact. energy: -0.425
local terms energy: -46.162103
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: -7.944
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -4.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -80.569621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.569621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.569621 (E_RNA)
where:
Base-Base interactions energy: -38.648
where: short stacking energy: -33.281
Base-Backbone interact. energy: -0.165
local terms energy: -41.756428
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -8.556
flat angles P-C4'-P energy: -3.422
tors. eta vs tors. theta energy: -3.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -214.693273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.693273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.693273 (E_RNA)
where:
Base-Base interactions energy: -142.725
where: short stacking energy: -65.595
Base-Backbone interact. energy: -1.060
local terms energy: -70.908065
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -16.542
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: 22
Temperature: 0.950000
Total energy: -203.642014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.642014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.642014 (E_RNA)
where:
Base-Base interactions energy: -140.067
where: short stacking energy: -57.289
Base-Backbone interact. energy: -0.253
local terms energy: -63.321286
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -7.022
tors. eta vs tors. theta energy: -14.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -206.308923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.308923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.308923 (E_RNA)
where:
Base-Base interactions energy: -141.212
where: short stacking energy: -67.816
Base-Backbone interact. energy: 0.024
local terms energy: -65.120969
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -10.053
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -17.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -199.192902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.192902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.192902 (E_RNA)
where:
Base-Base interactions energy: -140.512
where: short stacking energy: -57.337
Base-Backbone interact. energy: -0.005
local terms energy: -58.676583
where:
bonds (distance) C4'-P energy: -9.549
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -16.537
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: 2
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -164.237433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.237433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.237433 (E_RNA)
where:
Base-Base interactions energy: -118.283
where: short stacking energy: -36.969
Base-Backbone interact. energy: -0.350
local terms energy: -45.605066
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -10.259
flat angles C4'-P-C4' energy: -10.273
flat angles P-C4'-P energy: -6.860
tors. eta vs tors. theta energy: -5.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -87.568751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.568751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.568751 (E_RNA)
where:
Base-Base interactions energy: -35.930
where: short stacking energy: -34.482
Base-Backbone interact. energy: -0.124
local terms energy: -51.515017
where:
bonds (distance) C4'-P energy: -9.764
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -5.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -89.180515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.180515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.180515 (E_RNA)
where:
Base-Base interactions energy: -39.401
where: short stacking energy: -36.519
Base-Backbone interact. energy: -0.120
local terms energy: -49.659190
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -9.075
flat angles C4'-P-C4' energy: -11.182
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -8.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -80.127694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.127694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.127694 (E_RNA)
where:
Base-Base interactions energy: -32.075
where: short stacking energy: -32.075
Base-Backbone interact. energy: -0.033
local terms energy: -48.020137
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -12.303
flat angles P-C4'-P energy: -5.870
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: 9, replica: 6
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -125.527130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.527130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.527130 (E_RNA)
where:
Base-Base interactions energy: -77.421
where: short stacking energy: -38.378
Base-Backbone interact. energy: -0.118
local terms energy: -47.987928
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -3.005
tors. eta vs tors. theta energy: -3.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -76.235840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.235840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.235840 (E_RNA)
where:
Base-Base interactions energy: -31.571
where: short stacking energy: -31.571
Base-Backbone interact. energy: -0.003
local terms energy: -44.661352
where:
bonds (distance) C4'-P energy: -8.606
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -3.499
tors. eta vs tors. theta energy: -5.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -210.702142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.702142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.702142 (E_RNA)
where:
Base-Base interactions energy: -141.788
where: short stacking energy: -60.511
Base-Backbone interact. energy: -0.292
local terms energy: -68.621931
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -19.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -211.846883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.846883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.846883 (E_RNA)
where:
Base-Base interactions energy: -144.625
where: short stacking energy: -62.387
Base-Backbone interact. energy: -0.003
local terms energy: -67.218453
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -17.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -203.394118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.394118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.394118 (E_RNA)
where:
Base-Base interactions energy: -138.029
where: short stacking energy: -56.784
Base-Backbone interact. energy: -0.052
local terms energy: -65.313156
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -17.019
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: 4
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -207.682039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.682039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.682039 (E_RNA)
where:
Base-Base interactions energy: -140.221
where: short stacking energy: -68.415
Base-Backbone interact. energy: -0.010
local terms energy: -67.450847
where:
bonds (distance) C4'-P energy: -7.089
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -19.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -172.587318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.587318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.587318 (E_RNA)
where:
Base-Base interactions energy: -120.252
where: short stacking energy: -36.394
Base-Backbone interact. energy: -0.103
local terms energy: -52.232674
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -9.915
flat angles C4'-P-C4' energy: -10.378
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -9.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -102.360803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.360803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.360803 (E_RNA)
where:
Base-Base interactions energy: -42.544
where: short stacking energy: -42.544
Base-Backbone interact. energy: -0.004
local terms energy: -59.812431
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -11.861
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -13.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -88.550445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.550445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.550445 (E_RNA)
where:
Base-Base interactions energy: -34.843
where: short stacking energy: -34.843
Base-Backbone interact. energy: -0.029
local terms energy: -53.678918
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -8.217
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: 8, replica: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -142.179247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.179247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.179247 (E_RNA)
where:
Base-Base interactions energy: -93.204
where: short stacking energy: -35.024
Base-Backbone interact. energy: -0.064
local terms energy: -48.911723
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -5.329
tors. eta vs tors. theta energy: -5.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -71.535881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.535881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.535881 (E_RNA)
where:
Base-Base interactions energy: -25.377
where: short stacking energy: -25.377
Base-Backbone interact. energy: -0.718
local terms energy: -45.441678
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -5.758
tors. eta vs tors. theta energy: 0.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -65.960289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.960289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.960289 (E_RNA)
where:
Base-Base interactions energy: -21.939
where: short stacking energy: -20.325
Base-Backbone interact. energy: -0.782
local terms energy: -43.239404
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -9.006
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -0.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -219.019724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.019724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.019724 (E_RNA)
where:
Base-Base interactions energy: -148.301
where: short stacking energy: -65.122
Base-Backbone interact. energy: -0.317
local terms energy: -70.402475
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -16.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -210.643055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.643055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.643055 (E_RNA)
where:
Base-Base interactions energy: -145.950
where: short stacking energy: -65.858
Base-Backbone interact. energy: -0.051
local terms energy: -64.642212
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -11.582
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -17.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -210.187907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.187907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.187907 (E_RNA)
where:
Base-Base interactions energy: -139.539
where: short stacking energy: -68.718
Base-Backbone interact. energy: -0.416
local terms energy: -70.233073
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -20.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -201.972257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.972257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.972257 (E_RNA)
where:
Base-Base interactions energy: -137.996
where: short stacking energy: -63.744
Base-Backbone interact. energy: -0.855
local terms energy: -63.121602
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -10.090
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -15.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -154.195298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.195298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.195298 (E_RNA)
where:
Base-Base interactions energy: -104.831
where: short stacking energy: -45.402
Base-Backbone interact. energy: -0.100
local terms energy: -49.264581
where:
bonds (distance) C4'-P energy: -8.057
bonds (distance) P-C4' energy: -12.245
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -7.251
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: 6, replica: 7
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -103.287108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.287108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.287108 (E_RNA)
where:
Base-Base interactions energy: -50.226
where: short stacking energy: -45.218
Base-Backbone interact. energy: -0.019
local terms energy: -53.042273
where:
bonds (distance) C4'-P energy: -5.140
bonds (distance) P-C4' energy: -14.946
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -13.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -132.643017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.643017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.643017 (E_RNA)
where:
Base-Base interactions energy: -84.657
where: short stacking energy: -41.657
Base-Backbone interact. energy: -0.403
local terms energy: -47.583356
where:
bonds (distance) C4'-P energy: -8.601
bonds (distance) P-C4' energy: -14.108
flat angles C4'-P-C4' energy: -10.697
flat angles P-C4'-P energy: -6.097
tors. eta vs tors. theta energy: -8.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -72.957991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.957991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.957991 (E_RNA)
where:
Base-Base interactions energy: -24.213
where: short stacking energy: -23.661
Base-Backbone interact. energy: -0.158
local terms energy: -48.587040
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -11.442
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -3.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -76.591355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.591355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.591355 (E_RNA)
where:
Base-Base interactions energy: -33.068
where: short stacking energy: -17.503
Base-Backbone interact. energy: 0.232
local terms energy: -43.755916
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -9.481
flat angles P-C4'-P energy: -6.148
tors. eta vs tors. theta energy: -4.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -69.338946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.338946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.338946 (E_RNA)
where:
Base-Base interactions energy: -25.004
where: short stacking energy: -25.004
Base-Backbone interact. energy: -0.130
local terms energy: -44.204723
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -9.640
flat angles P-C4'-P energy: -6.067
tors. eta vs tors. theta energy: -2.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -211.601684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.601684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.601684 (E_RNA)
where:
Base-Base interactions energy: -137.348
where: short stacking energy: -64.648
Base-Backbone interact. energy: -0.053
local terms energy: -74.200744
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -20.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -210.956225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.956225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.956225 (E_RNA)
where:
Base-Base interactions energy: -141.788
where: short stacking energy: -69.528
Base-Backbone interact. energy: -0.242
local terms energy: -68.925922
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -19.642
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: 3
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -211.434292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.434292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.434292 (E_RNA)
where:
Base-Base interactions energy: -144.230
where: short stacking energy: -60.230
Base-Backbone interact. energy: -0.003
local terms energy: -67.201890
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -17.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -200.745159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.745159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.745159 (E_RNA)
where:
Base-Base interactions energy: -138.919
where: short stacking energy: -58.262
Base-Backbone interact. energy: -0.016
local terms energy: -61.809986
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -11.002
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: -16.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -155.020879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.020879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.020879 (E_RNA)
where:
Base-Base interactions energy: -102.899
where: short stacking energy: -43.997
Base-Backbone interact. energy: -0.024
local terms energy: -52.097842
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -11.329
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -9.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -129.096144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.096144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.096144 (E_RNA)
where:
Base-Base interactions energy: -85.801
where: short stacking energy: -38.584
Base-Backbone interact. energy: -1.507
local terms energy: -41.788120
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -10.758
flat angles P-C4'-P energy: -3.699
tors. eta vs tors. theta energy: -4.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -86.378532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.378532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.378532 (E_RNA)
where:
Base-Base interactions energy: -35.871
where: short stacking energy: -35.871
Base-Backbone interact. energy: -0.033
local terms energy: -50.474202
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -5.827
tors. eta vs tors. theta energy: -5.568
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: 8, replica: 1
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -93.009098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.009098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.009098 (E_RNA)
where:
Base-Base interactions energy: -38.472
where: short stacking energy: -38.472
Base-Backbone interact. energy: -0.063
local terms energy: -54.473825
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -9.754
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -9.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -92.090191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.090191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.090191 (E_RNA)
where:
Base-Base interactions energy: -39.064
where: short stacking energy: -28.313
Base-Backbone interact. energy: -0.084
local terms energy: -52.941938
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -10.827
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -7.439
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: 10
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -68.463611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.463611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.463611 (E_RNA)
where:
Base-Base interactions energy: -28.148
where: short stacking energy: -12.568
Base-Backbone interact. energy: -0.270
local terms energy: -40.046401
where:
bonds (distance) C4'-P energy: -8.361
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -1.685
tors. eta vs tors. theta energy: -1.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -213.007438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.007438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.007438 (E_RNA)
where:
Base-Base interactions energy: -143.578
where: short stacking energy: -66.234
Base-Backbone interact. energy: -0.870
local terms energy: -68.559116
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -18.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -204.579855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.579855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.579855 (E_RNA)
where:
Base-Base interactions energy: -138.870
where: short stacking energy: -60.511
Base-Backbone interact. energy: -0.461
local terms energy: -65.248692
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -16.148
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: 5
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -206.800740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.800740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.800740 (E_RNA)
where:
Base-Base interactions energy: -147.439
where: short stacking energy: -63.334
Base-Backbone interact. energy: -0.101
local terms energy: -59.260660
where:
bonds (distance) C4'-P energy: -9.280
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -16.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -200.829106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.829106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.829106 (E_RNA)
where:
Base-Base interactions energy: -140.899
where: short stacking energy: -55.295
Base-Backbone interact. energy: -0.005
local terms energy: -59.924389
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -12.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -166.408520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.408520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.408520 (E_RNA)
where:
Base-Base interactions energy: -107.932
where: short stacking energy: -41.657
Base-Backbone interact. energy: -0.017
local terms energy: -58.459214
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -10.564
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -13.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -173.476084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.476084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.476084 (E_RNA)
where:
Base-Base interactions energy: -114.462
where: short stacking energy: -49.542
Base-Backbone interact. energy: -0.407
local terms energy: -58.607490
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -11.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -80.018518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.018518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.018518 (E_RNA)
where:
Base-Base interactions energy: -37.444
where: short stacking energy: -29.717
Base-Backbone interact. energy: -0.010
local terms energy: -42.563709
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -10.828
flat angles P-C4'-P energy: -0.281
tors. eta vs tors. theta energy: -5.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -73.650458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.650458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.650458 (E_RNA)
where:
Base-Base interactions energy: -25.980
where: short stacking energy: -25.980
Base-Backbone interact. energy: -0.847
local terms energy: -46.823891
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: 2.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -71.807396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.807396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.807396 (E_RNA)
where:
Base-Base interactions energy: -30.905
where: short stacking energy: -27.034
Base-Backbone interact. energy: -0.105
local terms energy: -40.797075
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -10.178
flat angles P-C4'-P energy: -4.054
tors. eta vs tors. theta energy: -1.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -74.145951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.145951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.145951 (E_RNA)
where:
Base-Base interactions energy: -28.967
where: short stacking energy: -28.967
Base-Backbone interact. energy: -0.012
local terms energy: -45.166844
where:
bonds (distance) C4'-P energy: -7.946
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -8.675
flat angles P-C4'-P energy: -7.022
tors. eta vs tors. theta energy: -9.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -211.085049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.085049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.085049 (E_RNA)
where:
Base-Base interactions energy: -147.101
where: short stacking energy: -59.068
Base-Backbone interact. energy: -0.019
local terms energy: -63.965111
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -14.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -204.308904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.308904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.308904 (E_RNA)
where:
Base-Base interactions energy: -134.641
where: short stacking energy: -67.944
Base-Backbone interact. energy: -0.008
local terms energy: -69.659917
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -18.562
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: 4
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -209.258942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.258942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.258942 (E_RNA)
where:
Base-Base interactions energy: -141.253
where: short stacking energy: -65.600
Base-Backbone interact. energy: -1.341
local terms energy: -66.664793
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -9.694
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -19.716
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: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -205.172248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.172248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.172248 (E_RNA)
where:
Base-Base interactions energy: -139.284
where: short stacking energy: -65.571
Base-Backbone interact. energy: -0.000
local terms energy: -65.887952
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -15.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -162.925597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.925597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.925597 (E_RNA)
where:
Base-Base interactions energy: -113.501
where: short stacking energy: -34.658
Base-Backbone interact. energy: 0.601
local terms energy: -50.025661
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -10.863
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -6.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -175.228613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.228613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.228613 (E_RNA)
where:
Base-Base interactions energy: -117.779
where: short stacking energy: -49.796
Base-Backbone interact. energy: -0.060
local terms energy: -57.389837
where:
bonds (distance) C4'-P energy: -6.133
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -14.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -86.884843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.884843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.884843 (E_RNA)
where:
Base-Base interactions energy: -36.406
where: short stacking energy: -36.406
Base-Backbone interact. energy: -0.001
local terms energy: -50.478310
where:
bonds (distance) C4'-P energy: -11.013
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -5.355
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: 8, replica: 10
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -99.891248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.891248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.891248 (E_RNA)
where:
Base-Base interactions energy: -42.795
where: short stacking energy: -42.795
Base-Backbone interact. energy: -0.056
local terms energy: -57.039535
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -9.923
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -13.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -75.171483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.171483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.171483 (E_RNA)
where:
Base-Base interactions energy: -35.638
where: short stacking energy: -35.638
Base-Backbone interact. energy: 2.118
local terms energy: -41.651567
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -8.194
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -4.651
tors. eta vs tors. theta energy: -7.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -80.375619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.375619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.375619 (E_RNA)
where:
Base-Base interactions energy: -46.671
where: short stacking energy: -30.342
Base-Backbone interact. energy: -0.152
local terms energy: -33.553313
where:
bonds (distance) C4'-P energy: -9.511
bonds (distance) P-C4' energy: -7.274
flat angles C4'-P-C4' energy: -10.413
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: 1.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -209.220530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.220530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.220530 (E_RNA)
where:
Base-Base interactions energy: -134.756
where: short stacking energy: -66.673
Base-Backbone interact. energy: -0.001
local terms energy: -74.462823
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -17.752
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: 9
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -210.963084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.963084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.963084 (E_RNA)
where:
Base-Base interactions energy: -145.834
where: short stacking energy: -63.417
Base-Backbone interact. energy: -0.043
local terms energy: -65.086106
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -15.777
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: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -208.360518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.360518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.360518 (E_RNA)
where:
Base-Base interactions energy: -142.974
where: short stacking energy: -62.359
Base-Backbone interact. energy: -0.000
local terms energy: -65.386244
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -17.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -197.663900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.663900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.663900 (E_RNA)
where:
Base-Base interactions energy: -130.706
where: short stacking energy: -59.559
Base-Backbone interact. energy: -0.001
local terms energy: -66.957597
where:
bonds (distance) C4'-P energy: -7.031
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -12.950
tors. eta vs tors. theta energy: -16.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -197.620060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.620060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.620060 (E_RNA)
where:
Base-Base interactions energy: -130.482
where: short stacking energy: -59.034
Base-Backbone interact. energy: -1.176
local terms energy: -65.961896
where:
bonds (distance) C4'-P energy: -9.771
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -17.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -142.399223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.399223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.399223 (E_RNA)
where:
Base-Base interactions energy: -82.561
where: short stacking energy: -47.354
Base-Backbone interact. energy: 0.164
local terms energy: -60.002382
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -10.442
flat angles P-C4'-P energy: -9.923
tors. eta vs tors. theta energy: -14.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -90.932163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.932163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.932163 (E_RNA)
where:
Base-Base interactions energy: -40.916
where: short stacking energy: -37.180
Base-Backbone interact. energy: -0.116
local terms energy: -49.899744
where:
bonds (distance) C4'-P energy: -12.851
bonds (distance) P-C4' energy: -9.839
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -5.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -74.302684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.302684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.302684 (E_RNA)
where:
Base-Base interactions energy: -29.455
where: short stacking energy: -29.455
Base-Backbone interact. energy: -0.160
local terms energy: -44.688078
where:
bonds (distance) C4'-P energy: -11.385
bonds (distance) P-C4' energy: -10.754
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -3.843
tors. eta vs tors. theta energy: -7.073
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: 9, replica: 8
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -76.231406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.231406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.231406 (E_RNA)
where:
Base-Base interactions energy: -31.586
where: short stacking energy: -24.229
Base-Backbone interact. energy: -0.076
local terms energy: -44.569652
where:
bonds (distance) C4'-P energy: -9.898
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -8.696
flat angles P-C4'-P energy: -5.042
tors. eta vs tors. theta energy: -6.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -70.185774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.185774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.185774 (E_RNA)
where:
Base-Base interactions energy: -33.269
where: short stacking energy: -24.342
Base-Backbone interact. energy: -0.139
local terms energy: -36.777438
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -7.178
flat angles P-C4'-P energy: -5.194
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: 1, replica: 5
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -214.144650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.144650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.144650 (E_RNA)
where:
Base-Base interactions energy: -147.750
where: short stacking energy: -67.289
Base-Backbone interact. energy: -0.661
local terms energy: -65.734173
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -13.943
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: 2, replica: 3
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -209.071863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.071863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.071863 (E_RNA)
where:
Base-Base interactions energy: -144.987
where: short stacking energy: -61.694
Base-Backbone interact. energy: -0.005
local terms energy: -64.079227
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -11.116
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -19.260
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: 3, replica: 9
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -207.235887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.235887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.235887 (E_RNA)
where:
Base-Base interactions energy: -135.672
where: short stacking energy: -64.056
Base-Backbone interact. energy: -0.007
local terms energy: -71.556858
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -19.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -204.212359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.212359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.212359 (E_RNA)
where:
Base-Base interactions energy: -134.531
where: short stacking energy: -59.066
Base-Backbone interact. energy: -0.280
local terms energy: -69.401418
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -19.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -195.693911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.693911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.693911 (E_RNA)
where:
Base-Base interactions energy: -132.851
where: short stacking energy: -62.329
Base-Backbone interact. energy: -0.000
local terms energy: -62.842923
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -5.319
tors. eta vs tors. theta energy: -18.488
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: 2
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -154.125272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.125272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.125272 (E_RNA)
where:
Base-Base interactions energy: -95.042
where: short stacking energy: -50.480
Base-Backbone interact. energy: -0.059
local terms energy: -59.024375
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -10.864
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -14.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -101.879824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.879824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.879824 (E_RNA)
where:
Base-Base interactions energy: -49.435
where: short stacking energy: -48.094
Base-Backbone interact. energy: -0.121
local terms energy: -52.324473
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -9.579
flat angles P-C4'-P energy: -3.014
tors. eta vs tors. theta energy: -13.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -75.234130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.234130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.234130 (E_RNA)
where:
Base-Base interactions energy: -27.432
where: short stacking energy: -22.700
Base-Backbone interact. energy: -0.648
local terms energy: -47.153611
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -11.102
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: 0.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -74.474286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.474286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.474286 (E_RNA)
where:
Base-Base interactions energy: -28.749
where: short stacking energy: -28.749
Base-Backbone interact. energy: -0.002
local terms energy: -45.723195
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -4.594
tors. eta vs tors. theta energy: -2.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -74.453037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.453037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.453037 (E_RNA)
where:
Base-Base interactions energy: -20.542
where: short stacking energy: -20.542
Base-Backbone interact. energy: -0.129
local terms energy: -53.782417
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -12.248
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -6.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -212.796709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.796709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.796709 (E_RNA)
where:
Base-Base interactions energy: -144.633
where: short stacking energy: -70.703
Base-Backbone interact. energy: -0.607
local terms energy: -67.556649
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -11.484
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -17.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -201.887375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.887375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.887375 (E_RNA)
where:
Base-Base interactions energy: -133.137
where: short stacking energy: -60.166
Base-Backbone interact. energy: 0.118
local terms energy: -68.867940
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -12.774
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -15.980
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: 6
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -206.265259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.265259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.265259 (E_RNA)
where:
Base-Base interactions energy: -141.013
where: short stacking energy: -58.540
Base-Backbone interact. energy: -0.077
local terms energy: -65.174962
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -8.745
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: 4, replica: 9
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -198.724697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.724697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.724697 (E_RNA)
where:
Base-Base interactions energy: -131.971
where: short stacking energy: -61.724
Base-Backbone interact. energy: -0.003
local terms energy: -66.750715
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -16.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -197.677702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.677702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.677702 (E_RNA)
where:
Base-Base interactions energy: -131.327
where: short stacking energy: -65.411
Base-Backbone interact. energy: -0.024
local terms energy: -66.327145
where:
bonds (distance) C4'-P energy: -10.879
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -16.486
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: 2
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -141.917622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.917622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.917622 (E_RNA)
where:
Base-Base interactions energy: -85.482
where: short stacking energy: -47.042
Base-Backbone interact. energy: -0.293
local terms energy: -56.142449
where:
bonds (distance) C4'-P energy: -9.188
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -9.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -109.450585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.450585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.450585 (E_RNA)
where:
Base-Base interactions energy: -47.581
where: short stacking energy: -47.581
Base-Backbone interact. energy: -0.084
local terms energy: -61.785344
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -5.127
tors. eta vs tors. theta energy: -14.746
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: 10
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -139.366010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.366010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.366010 (E_RNA)
where:
Base-Base interactions energy: -86.263
where: short stacking energy: -37.895
Base-Backbone interact. energy: -0.691
local terms energy: -52.412025
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -8.978
flat angles P-C4'-P energy: -4.023
tors. eta vs tors. theta energy: -8.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -73.779038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.779038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.779038 (E_RNA)
where:
Base-Base interactions energy: -31.648
where: short stacking energy: -22.766
Base-Backbone interact. energy: -1.336
local terms energy: -40.794974
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -9.125
flat angles P-C4'-P energy: -5.173
tors. eta vs tors. theta energy: -2.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -73.991002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.991002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.991002 (E_RNA)
where:
Base-Base interactions energy: -26.174
where: short stacking energy: -26.274
Base-Backbone interact. energy: -0.206
local terms energy: -47.610577
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -2.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -212.708178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.708178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.708178 (E_RNA)
where:
Base-Base interactions energy: -142.088
where: short stacking energy: -65.862
Base-Backbone interact. energy: -0.001
local terms energy: -70.619277
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -18.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -209.373416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.373416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.373416 (E_RNA)
where:
Base-Base interactions energy: -142.531
where: short stacking energy: -68.493
Base-Backbone interact. energy: -0.067
local terms energy: -66.775596
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -19.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -205.560018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.560018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.560018 (E_RNA)
where:
Base-Base interactions energy: -140.788
where: short stacking energy: -62.266
Base-Backbone interact. energy: -0.122
local terms energy: -64.649726
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -11.606
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: -17.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -202.231962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.231962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.231962 (E_RNA)
where:
Base-Base interactions energy: -131.898
where: short stacking energy: -59.712
Base-Backbone interact. energy: -0.008
local terms energy: -70.326737
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -16.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -199.643181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.643181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.643181 (E_RNA)
where:
Base-Base interactions energy: -140.585
where: short stacking energy: -66.674
Base-Backbone interact. energy: -0.004
local terms energy: -59.053609
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -9.794
flat angles C4'-P-C4' energy: -9.122
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -15.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -106.942583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.942583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.942583 (E_RNA)
where:
Base-Base interactions energy: -54.833
where: short stacking energy: -41.087
Base-Backbone interact. energy: 4.546
local terms energy: -56.655520
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -7.077
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: 7, replica: 2
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -140.377704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.377704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.377704 (E_RNA)
where:
Base-Base interactions energy: -88.520
where: short stacking energy: -40.084
Base-Backbone interact. energy: -0.013
local terms energy: -51.845318
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -11.012
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: -7.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -137.765280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.765280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.765280 (E_RNA)
where:
Base-Base interactions energy: -85.434
where: short stacking energy: -36.032
Base-Backbone interact. energy: -0.775
local terms energy: -51.556875
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -8.321
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -8.516
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: 31
Temperature: 1.300000
Total energy: -77.376778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.376778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.376778 (E_RNA)
where:
Base-Base interactions energy: -27.030
where: short stacking energy: -22.740
Base-Backbone interact. energy: -0.370
local terms energy: -49.976152
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -2.032
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: 10, replica: 1
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -78.722023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.722023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.722023 (E_RNA)
where:
Base-Base interactions energy: -41.378
where: short stacking energy: -21.174
Base-Backbone interact. energy: -0.102
local terms energy: -37.242102
where:
bonds (distance) C4'-P energy: -7.205
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -9.347
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: -2.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -214.295121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.295121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.295121 (E_RNA)
where:
Base-Base interactions energy: -144.070
where: short stacking energy: -68.339
Base-Backbone interact. energy: -0.876
local terms energy: -69.349490
where:
bonds (distance) C4'-P energy: -12.495
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -9.934
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: 2, replica: 6
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -206.386590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.386590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.386590 (E_RNA)
where:
Base-Base interactions energy: -138.639
where: short stacking energy: -59.639
Base-Backbone interact. energy: -0.302
local terms energy: -67.445472
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -15.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -205.478195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.478195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.478195 (E_RNA)
where:
Base-Base interactions energy: -141.045
where: short stacking energy: -64.430
Base-Backbone interact. energy: -0.059
local terms energy: -64.373593
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -12.283
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -17.924
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: 5
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -200.713425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.713425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.713425 (E_RNA)
where:
Base-Base interactions energy: -137.373
where: short stacking energy: -67.766
Base-Backbone interact. energy: -0.003
local terms energy: -63.338027
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -11.185
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -17.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -200.243268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.243268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.243268 (E_RNA)
where:
Base-Base interactions energy: -130.461
where: short stacking energy: -65.881
Base-Backbone interact. energy: -0.000
local terms energy: -69.781473
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -10.484
flat angles C4'-P-C4' energy: -16.349
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -18.494
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: 7
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -90.533869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.533869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.533869 (E_RNA)
where:
Base-Base interactions energy: -42.361
where: short stacking energy: -37.615
Base-Backbone interact. energy: -0.080
local terms energy: -48.092342
where:
bonds (distance) C4'-P energy: -8.787
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -7.573
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -11.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -143.285828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.285828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.285828 (E_RNA)
where:
Base-Base interactions energy: -86.091
where: short stacking energy: -35.362
Base-Backbone interact. energy: -0.867
local terms energy: -56.328361
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -10.793
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -9.507
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: 32
Temperature: 1.250000
Total energy: -157.087301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.087301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.087301 (E_RNA)
where:
Base-Base interactions energy: -104.266
where: short stacking energy: -41.709
Base-Backbone interact. energy: -0.396
local terms energy: -52.424840
where:
bonds (distance) C4'-P energy: -7.583
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -10.451
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: 9, replica: 1
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -114.001611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.001611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.001611 (E_RNA)
where:
Base-Base interactions energy: -69.480
where: short stacking energy: -36.162
Base-Backbone interact. energy: 1.261
local terms energy: -45.782812
where:
bonds (distance) C4'-P energy: -8.646
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -10.225
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -5.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -74.955478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.955478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.955478 (E_RNA)
where:
Base-Base interactions energy: -39.124
where: short stacking energy: -30.814
Base-Backbone interact. energy: -0.183
local terms energy: -35.648574
where:
bonds (distance) C4'-P energy: -10.046
bonds (distance) P-C4' energy: -10.825
flat angles C4'-P-C4' energy: -6.922
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -0.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -212.205748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.205748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.205748 (E_RNA)
where:
Base-Base interactions energy: -140.889
where: short stacking energy: -61.861
Base-Backbone interact. energy: -0.170
local terms energy: -71.146686
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -18.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -210.563214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.563214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.563214 (E_RNA)
where:
Base-Base interactions energy: -143.680
where: short stacking energy: -65.408
Base-Backbone interact. energy: -0.000
local terms energy: -66.883355
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -10.664
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -19.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -205.449143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.449143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.449143 (E_RNA)
where:
Base-Base interactions energy: -135.456
where: short stacking energy: -63.172
Base-Backbone interact. energy: -0.240
local terms energy: -69.753472
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -17.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -205.230657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.230657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.230657 (E_RNA)
where:
Base-Base interactions energy: -136.281
where: short stacking energy: -63.879
Base-Backbone interact. energy: -0.003
local terms energy: -68.946826
where:
bonds (distance) C4'-P energy: -9.341
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -17.194
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: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -193.068613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.068613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.068613 (E_RNA)
where:
Base-Base interactions energy: -131.524
where: short stacking energy: -56.648
Base-Backbone interact. energy: -0.073
local terms energy: -61.471615
where:
bonds (distance) C4'-P energy: -10.781
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -7.195
tors. eta vs tors. theta energy: -14.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -130.880445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.880445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.880445 (E_RNA)
where:
Base-Base interactions energy: -81.416
where: short stacking energy: -32.519
Base-Backbone interact. energy: -0.340
local terms energy: -49.124322
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -3.978
tors. eta vs tors. theta energy: -7.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -83.860542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.860542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.860542 (E_RNA)
where:
Base-Base interactions energy: -41.403
where: short stacking energy: -35.975
Base-Backbone interact. energy: -1.176
local terms energy: -41.282087
where:
bonds (distance) C4'-P energy: -9.229
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -9.405
flat angles P-C4'-P energy: -6.649
tors. eta vs tors. theta energy: -3.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -179.089923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.089923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.089923 (E_RNA)
where:
Base-Base interactions energy: -125.210
where: short stacking energy: -47.138
Base-Backbone interact. energy: -0.062
local terms energy: -53.817984
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -8.114
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -12.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -137.496052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.496052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.496052 (E_RNA)
where:
Base-Base interactions energy: -87.982
where: short stacking energy: -41.116
Base-Backbone interact. energy: 0.856
local terms energy: -50.369258
where:
bonds (distance) C4'-P energy: -7.139
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -5.701
tors. eta vs tors. theta energy: -10.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -69.234969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.234969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.234969 (E_RNA)
where:
Base-Base interactions energy: -28.786
where: short stacking energy: -28.446
Base-Backbone interact. energy: -0.141
local terms energy: -40.308287
where:
bonds (distance) C4'-P energy: -8.086
bonds (distance) P-C4' energy: -9.498
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -3.972
tors. eta vs tors. theta energy: -7.153
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: 3
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -211.878856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.878856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.878856 (E_RNA)
where:
Base-Base interactions energy: -140.973
where: short stacking energy: -63.806
Base-Backbone interact. energy: -0.239
local terms energy: -70.667720
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -15.977
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: 2, replica: 4
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -208.816772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.816772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.816772 (E_RNA)
where:
Base-Base interactions energy: -140.989
where: short stacking energy: -63.706
Base-Backbone interact. energy: -0.001
local terms energy: -67.827018
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -12.493
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -17.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -202.670576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.670576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.670576 (E_RNA)
where:
Base-Base interactions energy: -139.232
where: short stacking energy: -61.052
Base-Backbone interact. energy: -0.000
local terms energy: -63.438496
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -15.821
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: 9
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -201.200997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.200997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.200997 (E_RNA)
where:
Base-Base interactions energy: -134.351
where: short stacking energy: -62.764
Base-Backbone interact. energy: -0.001
local terms energy: -66.848277
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -17.758
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: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -195.294507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.294507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.294507 (E_RNA)
where:
Base-Base interactions energy: -136.818
where: short stacking energy: -62.646
Base-Backbone interact. energy: 1.192
local terms energy: -59.668518
where:
bonds (distance) C4'-P energy: -9.304
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -13.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -153.580632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.580632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.580632 (E_RNA)
where:
Base-Base interactions energy: -106.023
where: short stacking energy: -42.342
Base-Backbone interact. energy: -0.056
local terms energy: -47.501361
where:
bonds (distance) C4'-P energy: -9.609
bonds (distance) P-C4' energy: -12.115
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -2.674
tors. eta vs tors. theta energy: -10.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -192.460472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.460472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.460472 (E_RNA)
where:
Base-Base interactions energy: -125.837
where: short stacking energy: -54.657
Base-Backbone interact. energy: -0.127
local terms energy: -66.495582
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -12.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -75.749518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.749518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.749518 (E_RNA)
where:
Base-Base interactions energy: -28.598
where: short stacking energy: -23.682
Base-Backbone interact. energy: -0.156
local terms energy: -46.995225
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -10.185
flat angles C4'-P-C4' energy: -9.144
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -4.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -79.776651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.776651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.776651 (E_RNA)
where:
Base-Base interactions energy: -32.826
where: short stacking energy: -32.826
Base-Backbone interact. energy: -0.089
local terms energy: -46.860879
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -7.926
flat angles C4'-P-C4' energy: -10.484
flat angles P-C4'-P energy: -6.345
tors. eta vs tors. theta energy: -9.350
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: 10, replica: 2
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -67.012409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.012409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.012409 (E_RNA)
where:
Base-Base interactions energy: -28.655
where: short stacking energy: -28.655
Base-Backbone interact. energy: -0.338
local terms energy: -38.019166
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -4.670
tors. eta vs tors. theta energy: 1.183
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: 3
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -218.844697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.844697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.844697 (E_RNA)
where:
Base-Base interactions energy: -145.294
where: short stacking energy: -62.893
Base-Backbone interact. energy: -0.042
local terms energy: -73.508337
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -18.227
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: 2, replica: 6
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -210.275358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.275358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.275358 (E_RNA)
where:
Base-Base interactions energy: -145.105
where: short stacking energy: -56.619
Base-Backbone interact. energy: -0.128
local terms energy: -65.042392
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -13.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -201.737702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.737702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.737702 (E_RNA)
where:
Base-Base interactions energy: -137.980
where: short stacking energy: -59.747
Base-Backbone interact. energy: -0.002
local terms energy: -63.755723
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -16.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -200.797617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.797617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.797617 (E_RNA)
where:
Base-Base interactions energy: -135.778
where: short stacking energy: -63.472
Base-Backbone interact. energy: -0.000
local terms energy: -65.019492
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -11.615
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -16.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -201.026955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.026955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.026955 (E_RNA)
where:
Base-Base interactions energy: -138.498
where: short stacking energy: -54.416
Base-Backbone interact. energy: -0.019
local terms energy: -62.509368
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -8.711
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -15.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -192.704363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.704363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.704363 (E_RNA)
where:
Base-Base interactions energy: -130.532
where: short stacking energy: -57.572
Base-Backbone interact. energy: -0.003
local terms energy: -62.169973
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -12.041
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -14.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -150.003233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.003233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.003233 (E_RNA)
where:
Base-Base interactions energy: -86.944
where: short stacking energy: -42.558
Base-Backbone interact. energy: 0.010
local terms energy: -63.069463
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -12.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -82.086622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.086622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.086622 (E_RNA)
where:
Base-Base interactions energy: -33.850
where: short stacking energy: -28.379
Base-Backbone interact. energy: -0.043
local terms energy: -48.193358
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -9.082
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -3.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -71.814866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.814866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.814866 (E_RNA)
where:
Base-Base interactions energy: -28.363
where: short stacking energy: -23.743
Base-Backbone interact. energy: 2.403
local terms energy: -45.854959
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -10.948
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -0.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -85.182311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.182311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.182311 (E_RNA)
where:
Base-Base interactions energy: -36.045
where: short stacking energy: -25.563
Base-Backbone interact. energy: -0.175
local terms energy: -48.962081
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -8.055
flat angles P-C4'-P energy: -5.635
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: 1, replica: 6
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -205.664886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.664886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.664886 (E_RNA)
where:
Base-Base interactions energy: -141.737
where: short stacking energy: -54.924
Base-Backbone interact. energy: -0.017
local terms energy: -63.910409
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -14.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -210.859341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.859341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.859341 (E_RNA)
where:
Base-Base interactions energy: -148.970
where: short stacking energy: -67.464
Base-Backbone interact. energy: -0.295
local terms energy: -61.594345
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -11.150
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -14.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -206.929630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.929630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.929630 (E_RNA)
where:
Base-Base interactions energy: -143.599
where: short stacking energy: -65.569
Base-Backbone interact. energy: -0.041
local terms energy: -63.288684
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -7.214
tors. eta vs tors. theta energy: -18.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -192.369946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.369946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.369946 (E_RNA)
where:
Base-Base interactions energy: -128.656
where: short stacking energy: -58.951
Base-Backbone interact. energy: -0.286
local terms energy: -63.427795
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -14.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -199.095937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.095937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.095937 (E_RNA)
where:
Base-Base interactions energy: -137.563
where: short stacking energy: -57.637
Base-Backbone interact. energy: -2.234
local terms energy: -59.299496
where:
bonds (distance) C4'-P energy: -9.279
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -14.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -198.231842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.231842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.231842 (E_RNA)
where:
Base-Base interactions energy: -135.161
where: short stacking energy: -61.961
Base-Backbone interact. energy: -0.002
local terms energy: -63.069349
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -15.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -141.539848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.539848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.539848 (E_RNA)
where:
Base-Base interactions energy: -81.891
where: short stacking energy: -36.947
Base-Backbone interact. energy: -2.005
local terms energy: -57.644559
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -6.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -80.645577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.645577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.645577 (E_RNA)
where:
Base-Base interactions energy: -35.549
where: short stacking energy: -27.460
Base-Backbone interact. energy: -0.011
local terms energy: -45.084976
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -9.596
flat angles P-C4'-P energy: -5.325
tors. eta vs tors. theta energy: -4.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -69.845143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.845143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.845143 (E_RNA)
where:
Base-Base interactions energy: -29.002
where: short stacking energy: -16.507
Base-Backbone interact. energy: 0.236
local terms energy: -41.079422
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -7.730
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: 2.559
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: 36
Temperature: 1.350000
Total energy: -86.062771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.062771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.062771 (E_RNA)
where:
Base-Base interactions energy: -48.010
where: short stacking energy: -28.189
Base-Backbone interact. energy: 2.301
local terms energy: -40.353506
where:
bonds (distance) C4'-P energy: -9.312
bonds (distance) P-C4' energy: -12.333
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -5.218
tors. eta vs tors. theta energy: -1.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -206.941368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.941368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.941368 (E_RNA)
where:
Base-Base interactions energy: -142.990
where: short stacking energy: -59.406
Base-Backbone interact. energy: -0.009
local terms energy: -63.942831
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -10.272
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -15.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -207.769184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.769184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.769184 (E_RNA)
where:
Base-Base interactions energy: -135.871
where: short stacking energy: -65.543
Base-Backbone interact. energy: -0.005
local terms energy: -71.893621
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -17.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -206.311473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.311473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.311473 (E_RNA)
where:
Base-Base interactions energy: -138.073
where: short stacking energy: -60.855
Base-Backbone interact. energy: -0.000
local terms energy: -68.238394
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -19.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -200.092550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.092550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.092550 (E_RNA)
where:
Base-Base interactions energy: -132.786
where: short stacking energy: -62.701
Base-Backbone interact. energy: -0.590
local terms energy: -66.716627
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -11.990
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -18.118
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: 4
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -173.845539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.845539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.845539 (E_RNA)
where:
Base-Base interactions energy: -114.201
where: short stacking energy: -51.048
Base-Backbone interact. energy: -0.124
local terms energy: -59.520822
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -11.154
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -11.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -191.967896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.967896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.967896 (E_RNA)
where:
Base-Base interactions energy: -133.283
where: short stacking energy: -64.756
Base-Backbone interact. energy: -0.001
local terms energy: -58.683551
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -8.907
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -10.745
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: 7, replica: 10
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -134.976146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.976146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.976146 (E_RNA)
where:
Base-Base interactions energy: -90.074
where: short stacking energy: -36.669
Base-Backbone interact. energy: -0.220
local terms energy: -44.682397
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -8.562
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -4.424
tors. eta vs tors. theta energy: -7.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -84.186619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.186619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.186619 (E_RNA)
where:
Base-Base interactions energy: -34.779
where: short stacking energy: -34.779
Base-Backbone interact. energy: -0.006
local terms energy: -49.401710
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -11.358
flat angles P-C4'-P energy: -2.747
tors. eta vs tors. theta energy: -7.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -66.437217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.437217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.437217 (E_RNA)
where:
Base-Base interactions energy: -24.951
where: short stacking energy: -23.082
Base-Backbone interact. energy: -0.034
local terms energy: -41.452324
where:
bonds (distance) C4'-P energy: -8.460
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -9.491
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -0.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -71.578538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.578538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.578538 (E_RNA)
where:
Base-Base interactions energy: -28.113
where: short stacking energy: -28.113
Base-Backbone interact. energy: 0.438
local terms energy: -43.903876
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -8.733
flat angles C4'-P-C4' energy: -11.975
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -4.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -209.863940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.863940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.863940 (E_RNA)
where:
Base-Base interactions energy: -148.619
where: short stacking energy: -63.106
Base-Backbone interact. energy: -0.010
local terms energy: -61.234747
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -14.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -206.244332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.244332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.244332 (E_RNA)
where:
Base-Base interactions energy: -141.429
where: short stacking energy: -66.118
Base-Backbone interact. energy: -0.644
local terms energy: -64.171310
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -9.334
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -18.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -211.723914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.723914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.723914 (E_RNA)
where:
Base-Base interactions energy: -141.451
where: short stacking energy: -61.353
Base-Backbone interact. energy: -0.126
local terms energy: -70.147360
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -18.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -201.576282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.576282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.576282 (E_RNA)
where:
Base-Base interactions energy: -138.971
where: short stacking energy: -61.081
Base-Backbone interact. energy: -0.099
local terms energy: -62.506311
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -15.049
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: 9
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -197.089577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.089577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.089577 (E_RNA)
where:
Base-Base interactions energy: -135.243
where: short stacking energy: -64.260
Base-Backbone interact. energy: -0.069
local terms energy: -61.777025
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -11.037
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -7.211
tors. eta vs tors. theta energy: -16.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -171.057793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.057793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.057793 (E_RNA)
where:
Base-Base interactions energy: -111.857
where: short stacking energy: -46.480
Base-Backbone interact. energy: -0.432
local terms energy: -58.769022
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -10.761
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -7.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -124.821885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.821885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.821885 (E_RNA)
where:
Base-Base interactions energy: -75.794
where: short stacking energy: -38.034
Base-Backbone interact. energy: -0.316
local terms energy: -48.711344
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -9.027
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -8.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -81.709271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.709271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.709271 (E_RNA)
where:
Base-Base interactions energy: -36.245
where: short stacking energy: -30.675
Base-Backbone interact. energy: -0.126
local terms energy: -45.338201
where:
bonds (distance) C4'-P energy: -9.490
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -11.639
flat angles P-C4'-P energy: -5.955
tors. eta vs tors. theta energy: -6.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -72.609589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.609589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.609589 (E_RNA)
where:
Base-Base interactions energy: -29.036
where: short stacking energy: -25.858
Base-Backbone interact. energy: -0.108
local terms energy: -43.465780
where:
bonds (distance) C4'-P energy: -5.810
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -6.805
tors. eta vs tors. theta energy: -5.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -71.807419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.807419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.807419 (E_RNA)
where:
Base-Base interactions energy: -25.366
where: short stacking energy: -25.366
Base-Backbone interact. energy: -0.071
local terms energy: -46.370211
where:
bonds (distance) C4'-P energy: -9.734
bonds (distance) P-C4' energy: -12.142
flat angles C4'-P-C4' energy: -11.214
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -2.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -203.011403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.011403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.011403 (E_RNA)
where:
Base-Base interactions energy: -135.671
where: short stacking energy: -63.781
Base-Backbone interact. energy: -0.050
local terms energy: -67.290419
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -15.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -200.292869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.292869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.292869 (E_RNA)
where:
Base-Base interactions energy: -137.609
where: short stacking energy: -59.726
Base-Backbone interact. energy: -0.488
local terms energy: -62.195536
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -11.372
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -16.700
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: 6
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -205.022315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.022315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.022315 (E_RNA)
where:
Base-Base interactions energy: -136.505
where: short stacking energy: -67.285
Base-Backbone interact. energy: -0.004
local terms energy: -68.513945
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -16.921
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: 4, replica: 9
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -205.091901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.091901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.091901 (E_RNA)
where:
Base-Base interactions energy: -141.634
where: short stacking energy: -60.851
Base-Backbone interact. energy: -0.119
local terms energy: -63.338726
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -11.323
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -17.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -195.128032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.128032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.128032 (E_RNA)
where:
Base-Base interactions energy: -133.044
where: short stacking energy: -48.374
Base-Backbone interact. energy: -0.004
local terms energy: -62.080375
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -10.973
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -13.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -132.157996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.157996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.157996 (E_RNA)
where:
Base-Base interactions energy: -79.136
where: short stacking energy: -40.781
Base-Backbone interact. energy: 0.572
local terms energy: -53.593845
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -5.755
tors. eta vs tors. theta energy: -9.460
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: 7, replica: 4
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -189.152778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.152778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.152778 (E_RNA)
where:
Base-Base interactions energy: -134.786
where: short stacking energy: -60.708
Base-Backbone interact. energy: -0.164
local terms energy: -54.202697
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -10.091
flat angles C4'-P-C4' energy: -9.548
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -14.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -81.511195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.511195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.511195 (E_RNA)
where:
Base-Base interactions energy: -36.162
where: short stacking energy: -31.128
Base-Backbone interact. energy: 0.075
local terms energy: -45.424320
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -10.393
flat angles P-C4'-P energy: -4.250
tors. eta vs tors. theta energy: -3.160
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: 39
Temperature: 1.300000
Total energy: -67.874068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.874068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.874068 (E_RNA)
where:
Base-Base interactions energy: -22.722
where: short stacking energy: -22.722
Base-Backbone interact. energy: 0.645
local terms energy: -45.797097
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -7.294
flat angles P-C4'-P energy: -9.766
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: 2
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -66.646931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.646931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.646931 (E_RNA)
where:
Base-Base interactions energy: -28.545
where: short stacking energy: -28.545
Base-Backbone interact. energy: -0.046
local terms energy: -38.055583
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -7.344
flat angles C4'-P-C4' energy: -9.324
flat angles P-C4'-P energy: -3.883
tors. eta vs tors. theta energy: -4.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -213.797888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.797888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.797888 (E_RNA)
where:
Base-Base interactions energy: -150.347
where: short stacking energy: -63.398
Base-Backbone interact. energy: -0.343
local terms energy: -63.108123
where:
bonds (distance) C4'-P energy: -10.922
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -14.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -202.923759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.923759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.923759 (E_RNA)
where:
Base-Base interactions energy: -136.845
where: short stacking energy: -65.045
Base-Backbone interact. energy: -0.042
local terms energy: -66.037500
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -13.355
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -16.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -209.477517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.477517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.477517 (E_RNA)
where:
Base-Base interactions energy: -145.246
where: short stacking energy: -67.900
Base-Backbone interact. energy: -0.047
local terms energy: -64.185004
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -10.905
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -18.254
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: 9
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -203.395673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.395673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.395673 (E_RNA)
where:
Base-Base interactions energy: -141.568
where: short stacking energy: -68.035
Base-Backbone interact. energy: -0.412
local terms energy: -61.415156
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -9.817
flat angles P-C4'-P energy: -6.868
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: 5, replica: 10
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -156.096359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.096359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.096359 (E_RNA)
where:
Base-Base interactions energy: -105.611
where: short stacking energy: -45.582
Base-Backbone interact. energy: -0.692
local terms energy: -49.793502
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -7.314
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -8.899
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: 6, replica: 3
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -198.871187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.871187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.871187 (E_RNA)
where:
Base-Base interactions energy: -138.197
where: short stacking energy: -61.385
Base-Backbone interact. energy: -0.001
local terms energy: -60.672610
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -15.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -192.180579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.180579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.180579 (E_RNA)
where:
Base-Base interactions energy: -131.058
where: short stacking energy: -56.828
Base-Backbone interact. energy: -0.027
local terms energy: -61.096484
where:
bonds (distance) C4'-P energy: -10.638
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -11.108
flat angles P-C4'-P energy: -11.589
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: 7
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -80.250103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.250103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.250103 (E_RNA)
where:
Base-Base interactions energy: -30.508
where: short stacking energy: -30.508
Base-Backbone interact. energy: -0.004
local terms energy: -49.738429
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -10.115
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -6.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -79.117425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.117425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.117425 (E_RNA)
where:
Base-Base interactions energy: -40.571
where: short stacking energy: -31.352
Base-Backbone interact. energy: 1.293
local terms energy: -39.839305
where:
bonds (distance) C4'-P energy: -5.457
bonds (distance) P-C4' energy: -8.626
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -2.179
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: 10, replica: 8
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -74.421426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.421426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.421426 (E_RNA)
where:
Base-Base interactions energy: -33.985
where: short stacking energy: -28.927
Base-Backbone interact. energy: -0.101
local terms energy: -40.335421
where:
bonds (distance) C4'-P energy: -10.762
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -8.765
flat angles P-C4'-P energy: -4.317
tors. eta vs tors. theta energy: -3.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -206.649652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.649652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.649652 (E_RNA)
where:
Base-Base interactions energy: -139.537
where: short stacking energy: -61.215
Base-Backbone interact. energy: -0.000
local terms energy: -67.112399
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -10.284
flat angles P-C4'-P energy: -12.304
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: 2, replica: 6
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -210.391047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.391047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.391047 (E_RNA)
where:
Base-Base interactions energy: -141.456
where: short stacking energy: -67.375
Base-Backbone interact. energy: -0.003
local terms energy: -68.932327
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -16.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -203.555815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.555815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.555815 (E_RNA)
where:
Base-Base interactions energy: -136.686
where: short stacking energy: -65.410
Base-Backbone interact. energy: -0.156
local terms energy: -66.714106
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -6.249
tors. eta vs tors. theta energy: -17.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -203.897334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.897334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.897334 (E_RNA)
where:
Base-Base interactions energy: -144.923
where: short stacking energy: -56.608
Base-Backbone interact. energy: -0.932
local terms energy: -58.043208
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -6.032
tors. eta vs tors. theta energy: -14.576
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: 5, replica: 10
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -151.048174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.048174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.048174 (E_RNA)
where:
Base-Base interactions energy: -96.738
where: short stacking energy: -41.946
Base-Backbone interact. energy: -0.064
local terms energy: -54.246351
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: -8.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -192.458013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.458013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.458013 (E_RNA)
where:
Base-Base interactions energy: -138.566
where: short stacking energy: -66.111
Base-Backbone interact. energy: -0.270
local terms energy: -53.622260
where:
bonds (distance) C4'-P energy: -10.197
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -7.413
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -18.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -190.975173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.975173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.975173 (E_RNA)
where:
Base-Base interactions energy: -131.559
where: short stacking energy: -60.753
Base-Backbone interact. energy: -0.239
local terms energy: -59.177041
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -8.620
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -6.959
tors. eta vs tors. theta energy: -17.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -123.541160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.541160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.541160 (E_RNA)
where:
Base-Base interactions energy: -76.909
where: short stacking energy: -32.765
Base-Backbone interact. energy: -0.110
local terms energy: -46.521784
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -11.279
flat angles C4'-P-C4' energy: -10.416
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -3.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -72.260854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.260854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.260854 (E_RNA)
where:
Base-Base interactions energy: -36.939
where: short stacking energy: -24.552
Base-Backbone interact. energy: -0.329
local terms energy: -34.992701
where:
bonds (distance) C4'-P energy: -7.197
bonds (distance) P-C4' energy: -10.078
flat angles C4'-P-C4' energy: -9.733
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: -0.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -67.802831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.802831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.802831 (E_RNA)
where:
Base-Base interactions energy: -24.858
where: short stacking energy: -24.858
Base-Backbone interact. energy: -0.202
local terms energy: -42.743164
where:
bonds (distance) C4'-P energy: -9.984
bonds (distance) P-C4' energy: -11.684
flat angles C4'-P-C4' energy: -9.416
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -3.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -214.262482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.262482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.262482 (E_RNA)
where:
Base-Base interactions energy: -141.834
where: short stacking energy: -70.639
Base-Backbone interact. energy: -1.090
local terms energy: -71.338461
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -18.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -210.854156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.854156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.854156 (E_RNA)
where:
Base-Base interactions energy: -139.232
where: short stacking energy: -66.561
Base-Backbone interact. energy: -0.557
local terms energy: -71.065611
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -19.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -209.861391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.861391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.861391 (E_RNA)
where:
Base-Base interactions energy: -140.683
where: short stacking energy: -65.199
Base-Backbone interact. energy: -0.741
local terms energy: -68.436772
where:
bonds (distance) C4'-P energy: -10.722
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -9.082
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: 9
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -196.183173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.183173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.183173 (E_RNA)
where:
Base-Base interactions energy: -130.120
where: short stacking energy: -60.633
Base-Backbone interact. energy: -0.007
local terms energy: -66.056657
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -7.907
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -19.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -200.252336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.252336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.252336 (E_RNA)
where:
Base-Base interactions energy: -131.682
where: short stacking energy: -59.670
Base-Backbone interact. energy: -0.329
local terms energy: -68.240835
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -19.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -143.792091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.792091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.792091 (E_RNA)
where:
Base-Base interactions energy: -87.376
where: short stacking energy: -48.208
Base-Backbone interact. energy: -0.915
local terms energy: -55.502012
where:
bonds (distance) C4'-P energy: -7.160
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -9.825
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -15.691
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: 3
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -183.092975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.092975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.092975 (E_RNA)
where:
Base-Base interactions energy: -126.730
where: short stacking energy: -54.063
Base-Backbone interact. energy: -0.053
local terms energy: -56.310062
where:
bonds (distance) C4'-P energy: -13.505
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -8.446
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -13.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -110.374781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.374781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.374781 (E_RNA)
where:
Base-Base interactions energy: -66.255
where: short stacking energy: -31.521
Base-Backbone interact. energy: -0.071
local terms energy: -44.049353
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -8.063
flat angles C4'-P-C4' energy: -8.893
flat angles P-C4'-P energy: -7.020
tors. eta vs tors. theta energy: -4.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -76.162225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.162225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.162225 (E_RNA)
where:
Base-Base interactions energy: -37.388
where: short stacking energy: -17.698
Base-Backbone interact. energy: -0.913
local terms energy: -37.860949
where:
bonds (distance) C4'-P energy: -7.744
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -9.379
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: 1.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -86.011427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.011427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.011427 (E_RNA)
where:
Base-Base interactions energy: -39.835
where: short stacking energy: -21.175
Base-Backbone interact. energy: -0.180
local terms energy: -45.996578
where:
bonds (distance) C4'-P energy: -9.954
bonds (distance) P-C4' energy: -12.513
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -1.077
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: 6
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -209.093769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.093769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.093769 (E_RNA)
where:
Base-Base interactions energy: -140.552
where: short stacking energy: -57.548
Base-Backbone interact. energy: -0.011
local terms energy: -68.531494
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -17.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -207.749850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.749850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.749850 (E_RNA)
where:
Base-Base interactions energy: -142.252
where: short stacking energy: -69.757
Base-Backbone interact. energy: -0.110
local terms energy: -65.387588
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -8.612
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -18.520
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: 5
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -210.265475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.265475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.265475 (E_RNA)
where:
Base-Base interactions energy: -141.320
where: short stacking energy: -59.267
Base-Backbone interact. energy: -0.060
local terms energy: -68.885162
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -17.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -201.719623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.719623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.719623 (E_RNA)
where:
Base-Base interactions energy: -135.121
where: short stacking energy: -63.093
Base-Backbone interact. energy: -0.007
local terms energy: -66.591631
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -16.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -202.019754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.019754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.019754 (E_RNA)
where:
Base-Base interactions energy: -138.216
where: short stacking energy: -61.705
Base-Backbone interact. energy: -0.033
local terms energy: -63.769924
where:
bonds (distance) C4'-P energy: -8.551
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -16.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -194.417003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.417003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.417003 (E_RNA)
where:
Base-Base interactions energy: -133.721
where: short stacking energy: -58.017
Base-Backbone interact. energy: -0.115
local terms energy: -60.580750
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -12.080
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: 7, replica: 10
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -119.634673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.634673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.634673 (E_RNA)
where:
Base-Base interactions energy: -67.585
where: short stacking energy: -30.552
Base-Backbone interact. energy: -0.209
local terms energy: -51.841447
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -9.777
flat angles P-C4'-P energy: -7.100
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: 8, replica: 2
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -158.094055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.094055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.094055 (E_RNA)
where:
Base-Base interactions energy: -111.710
where: short stacking energy: -48.396
Base-Backbone interact. energy: -0.127
local terms energy: -46.256752
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -7.462
flat angles P-C4'-P energy: -5.005
tors. eta vs tors. theta energy: -6.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -75.077404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.077404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.077404 (E_RNA)
where:
Base-Base interactions energy: -35.528
where: short stacking energy: -31.850
Base-Backbone interact. energy: 0.385
local terms energy: -39.934039
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -7.646
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -3.973
tors. eta vs tors. theta energy: -0.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -92.001162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.001162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.001162 (E_RNA)
where:
Base-Base interactions energy: -51.828
where: short stacking energy: -30.549
Base-Backbone interact. energy: 0.046
local terms energy: -40.219836
where:
bonds (distance) C4'-P energy: -11.427
bonds (distance) P-C4' energy: -11.007
flat angles C4'-P-C4' energy: -9.173
flat angles P-C4'-P energy: -4.641
tors. eta vs tors. theta energy: -3.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -213.174020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.174020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.174020 (E_RNA)
where:
Base-Base interactions energy: -141.065
where: short stacking energy: -62.651
Base-Backbone interact. energy: -0.456
local terms energy: -71.652582
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -19.556
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: 2, replica: 6
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -214.024659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.024659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.024659 (E_RNA)
where:
Base-Base interactions energy: -143.120
where: short stacking energy: -65.550
Base-Backbone interact. energy: -1.341
local terms energy: -69.564411
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -6.195
tors. eta vs tors. theta energy: -19.845
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: 4
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -206.242657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.242657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.242657 (E_RNA)
where:
Base-Base interactions energy: -141.398
where: short stacking energy: -63.262
Base-Backbone interact. energy: -0.825
local terms energy: -64.019137
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -5.512
tors. eta vs tors. theta energy: -18.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -192.557785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.557785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.557785 (E_RNA)
where:
Base-Base interactions energy: -124.893
where: short stacking energy: -51.893
Base-Backbone interact. energy: -0.825
local terms energy: -66.839932
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -11.871
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: 44
Temperature: 1.100000
Total energy: -191.809872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.809872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.809872 (E_RNA)
where:
Base-Base interactions energy: -128.055
where: short stacking energy: -60.880
Base-Backbone interact. energy: -0.506
local terms energy: -63.248505
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -14.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -196.798868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.798868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.798868 (E_RNA)
where:
Base-Base interactions energy: -134.719
where: short stacking energy: -62.982
Base-Backbone interact. energy: -0.102
local terms energy: -61.977852
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -12.342
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -16.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -181.626408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.626408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.626408 (E_RNA)
where:
Base-Base interactions energy: -123.712
where: short stacking energy: -53.976
Base-Backbone interact. energy: -0.116
local terms energy: -57.798706
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -14.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -127.350814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.350814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.350814 (E_RNA)
where:
Base-Base interactions energy: -78.724
where: short stacking energy: -31.548
Base-Backbone interact. energy: 0.852
local terms energy: -49.479717
where:
bonds (distance) C4'-P energy: -9.911
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: -10.239
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -8.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -112.902736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.902736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.902736 (E_RNA)
where:
Base-Base interactions energy: -76.715
where: short stacking energy: -27.336
Base-Backbone interact. energy: -0.201
local terms energy: -35.986337
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -10.345
flat angles C4'-P-C4' energy: -9.483
flat angles P-C4'-P energy: 1.760
tors. eta vs tors. theta energy: -5.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -60.800846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.800846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.800846 (E_RNA)
where:
Base-Base interactions energy: -16.466
where: short stacking energy: -16.466
Base-Backbone interact. energy: -0.221
local terms energy: -44.113420
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -10.022
flat angles P-C4'-P energy: -4.442
tors. eta vs tors. theta energy: -2.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -210.123953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.123953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.123953 (E_RNA)
where:
Base-Base interactions energy: -138.590
where: short stacking energy: -64.786
Base-Backbone interact. energy: -0.712
local terms energy: -70.821329
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -12.633
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -19.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -206.485432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.485432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.485432 (E_RNA)
where:
Base-Base interactions energy: -137.707
where: short stacking energy: -63.660
Base-Backbone interact. energy: -0.000
local terms energy: -68.777513
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -20.118
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: 4
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -203.244930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.244930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.244930 (E_RNA)
where:
Base-Base interactions energy: -138.534
where: short stacking energy: -62.140
Base-Backbone interact. energy: -0.261
local terms energy: -64.449427
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -15.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -201.854623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.854623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.854623 (E_RNA)
where:
Base-Base interactions energy: -137.006
where: short stacking energy: -59.074
Base-Backbone interact. energy: -0.002
local terms energy: -64.846653
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -15.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -204.752711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.752711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.752711 (E_RNA)
where:
Base-Base interactions energy: -137.176
where: short stacking energy: -60.202
Base-Backbone interact. energy: -0.124
local terms energy: -67.452586
where:
bonds (distance) C4'-P energy: -11.555
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -18.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -199.155274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.155274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.155274 (E_RNA)
where:
Base-Base interactions energy: -136.710
where: short stacking energy: -60.229
Base-Backbone interact. energy: -0.103
local terms energy: -62.342075
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -17.435
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: 9
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -190.232848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.232848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.232848 (E_RNA)
where:
Base-Base interactions energy: -130.523
where: short stacking energy: -61.015
Base-Backbone interact. energy: -0.433
local terms energy: -59.277395
where:
bonds (distance) C4'-P energy: -7.122
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -15.528
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: 7
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -130.786666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.786666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.786666 (E_RNA)
where:
Base-Base interactions energy: -74.360
where: short stacking energy: -28.534
Base-Backbone interact. energy: -0.481
local terms energy: -55.945404
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -5.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -86.984488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.984488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.984488 (E_RNA)
where:
Base-Base interactions energy: -37.496
where: short stacking energy: -28.189
Base-Backbone interact. energy: -0.107
local terms energy: -49.381192
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -8.399
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -3.908
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: 45
Temperature: 1.350000
Total energy: -75.626045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.626045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.626045 (E_RNA)
where:
Base-Base interactions energy: -32.547
where: short stacking energy: -31.545
Base-Backbone interact. energy: 2.762
local terms energy: -45.841236
where:
bonds (distance) C4'-P energy: -9.160
bonds (distance) P-C4' energy: -8.597
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -6.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -214.505344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.505344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.505344 (E_RNA)
where:
Base-Base interactions energy: -146.254
where: short stacking energy: -69.411
Base-Backbone interact. energy: -0.788
local terms energy: -67.463481
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -12.186
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -18.667
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: 6
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -211.157691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.157691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.157691 (E_RNA)
where:
Base-Base interactions energy: -142.017
where: short stacking energy: -65.606
Base-Backbone interact. energy: -0.000
local terms energy: -69.140618
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -19.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -201.030184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.030184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.030184 (E_RNA)
where:
Base-Base interactions energy: -137.710
where: short stacking energy: -62.278
Base-Backbone interact. energy: -0.174
local terms energy: -63.146403
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -11.458
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -14.508
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: 4, replica: 3
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -198.138959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.138959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.138959 (E_RNA)
where:
Base-Base interactions energy: -134.137
where: short stacking energy: -58.520
Base-Backbone interact. energy: -0.004
local terms energy: -63.997280
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -10.816
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -16.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -202.010021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.010021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.010021 (E_RNA)
where:
Base-Base interactions energy: -136.645
where: short stacking energy: -60.495
Base-Backbone interact. energy: -0.005
local terms energy: -65.360509
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -9.697
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -18.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -198.683491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.683491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.683491 (E_RNA)
where:
Base-Base interactions energy: -140.750
where: short stacking energy: -63.938
Base-Backbone interact. energy: -0.011
local terms energy: -57.922380
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -14.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -200.528584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.528584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.528584 (E_RNA)
where:
Base-Base interactions energy: -138.235
where: short stacking energy: -65.770
Base-Backbone interact. energy: -0.001
local terms energy: -62.292641
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -7.905
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -18.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -97.483327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.483327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.483327 (E_RNA)
where:
Base-Base interactions energy: -57.637
where: short stacking energy: -28.730
Base-Backbone interact. energy: -0.037
local terms energy: -39.808874
where:
bonds (distance) C4'-P energy: -6.278
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -4.670
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: 9, replica: 8
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -85.779984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.779984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.779984 (E_RNA)
where:
Base-Base interactions energy: -40.714
where: short stacking energy: -40.714
Base-Backbone interact. energy: -0.003
local terms energy: -45.062971
where:
bonds (distance) C4'-P energy: -9.089
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -10.800
flat angles P-C4'-P energy: -4.101
tors. eta vs tors. theta energy: -8.303
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: 10
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -73.069043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.069043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.069043 (E_RNA)
where:
Base-Base interactions energy: -34.223
where: short stacking energy: -24.976
Base-Backbone interact. energy: -0.520
local terms energy: -38.325667
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -4.161
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: -3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -209.358132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.358132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.358132 (E_RNA)
where:
Base-Base interactions energy: -148.588
where: short stacking energy: -69.022
Base-Backbone interact. energy: 0.171
local terms energy: -60.940288
where:
bonds (distance) C4'-P energy: -7.280
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -6.483
tors. eta vs tors. theta energy: -18.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -206.124694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.124694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.124694 (E_RNA)
where:
Base-Base interactions energy: -139.461
where: short stacking energy: -64.300
Base-Backbone interact. energy: -0.289
local terms energy: -66.375275
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -18.511
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: 6
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -207.400958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.400958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.400958 (E_RNA)
where:
Base-Base interactions energy: -151.741
where: short stacking energy: -61.765
Base-Backbone interact. energy: 0.278
local terms energy: -55.938140
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -12.239
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -12.019
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: 2
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -185.753254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.753254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.753254 (E_RNA)
where:
Base-Base interactions energy: -131.725
where: short stacking energy: -54.665
Base-Backbone interact. energy: -0.226
local terms energy: -53.801973
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -10.683
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: -11.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -192.116017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.116017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.116017 (E_RNA)
where:
Base-Base interactions energy: -131.418
where: short stacking energy: -56.721
Base-Backbone interact. energy: -0.064
local terms energy: -60.634684
where:
bonds (distance) C4'-P energy: -9.986
bonds (distance) P-C4' energy: -10.271
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -17.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -165.360954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.360954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.360954 (E_RNA)
where:
Base-Base interactions energy: -113.519
where: short stacking energy: -45.360
Base-Backbone interact. energy: -0.771
local terms energy: -51.071473
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -4.407
tors. eta vs tors. theta energy: -10.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -195.967496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.967496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.967496 (E_RNA)
where:
Base-Base interactions energy: -126.850
where: short stacking energy: -53.631
Base-Backbone interact. energy: -0.356
local terms energy: -68.761173
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -16.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -85.571720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.571720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.571720 (E_RNA)
where:
Base-Base interactions energy: -35.672
where: short stacking energy: -35.672
Base-Backbone interact. energy: -0.157
local terms energy: -49.742993
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -11.472
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -5.250
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: 9, replica: 7
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -70.671859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.671859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.671859 (E_RNA)
where:
Base-Base interactions energy: -26.413
where: short stacking energy: -26.413
Base-Backbone interact. energy: -0.075
local terms energy: -44.183829
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -9.136
flat angles P-C4'-P energy: -5.344
tors. eta vs tors. theta energy: -3.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -67.401415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.401415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.401415 (E_RNA)
where:
Base-Base interactions energy: -31.674
where: short stacking energy: -20.518
Base-Backbone interact. energy: -0.289
local terms energy: -35.437813
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -3.406
flat angles P-C4'-P energy: -6.584
tors. eta vs tors. theta energy: -1.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -209.586360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.586360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.586360 (E_RNA)
where:
Base-Base interactions energy: -141.394
where: short stacking energy: -69.268
Base-Backbone interact. energy: -0.157
local terms energy: -68.035702
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -17.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -204.495798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.495798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.495798 (E_RNA)
where:
Base-Base interactions energy: -140.159
where: short stacking energy: -64.329
Base-Backbone interact. energy: -0.001
local terms energy: -64.336035
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -15.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -209.195264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.195264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.195264 (E_RNA)
where:
Base-Base interactions energy: -142.853
where: short stacking energy: -61.824
Base-Backbone interact. energy: -0.428
local terms energy: -65.914757
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -15.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -207.623616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.623616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.623616 (E_RNA)
where:
Base-Base interactions energy: -147.554
where: short stacking energy: -56.809
Base-Backbone interact. energy: -0.134
local terms energy: -59.936118
where:
bonds (distance) C4'-P energy: -11.165
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -13.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -198.315530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.315530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.315530 (E_RNA)
where:
Base-Base interactions energy: -143.805
where: short stacking energy: -61.418
Base-Backbone interact. energy: -0.103
local terms energy: -54.408177
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -8.370
flat angles C4'-P-C4' energy: -11.555
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: -15.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -193.927272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.927272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.927272 (E_RNA)
where:
Base-Base interactions energy: -141.209
where: short stacking energy: -55.583
Base-Backbone interact. energy: -0.365
local terms energy: -52.352529
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -11.128
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: -9.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -191.607856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.607856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.607856 (E_RNA)
where:
Base-Base interactions energy: -136.014
where: short stacking energy: -58.119
Base-Backbone interact. energy: -0.285
local terms energy: -55.309023
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -9.832
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -5.694
tors. eta vs tors. theta energy: -15.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -84.213185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.213185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.213185 (E_RNA)
where:
Base-Base interactions energy: -36.861
where: short stacking energy: -29.108
Base-Backbone interact. energy: -0.051
local terms energy: -47.301398
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -11.999
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -2.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -75.273158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.273158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.273158 (E_RNA)
where:
Base-Base interactions energy: -27.968
where: short stacking energy: -27.968
Base-Backbone interact. energy: -0.010
local terms energy: -47.294662
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -10.766
flat angles C4'-P-C4' energy: -6.929
flat angles P-C4'-P energy: -6.593
tors. eta vs tors. theta energy: -11.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -65.046432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.046432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.046432 (E_RNA)
where:
Base-Base interactions energy: -26.658
where: short stacking energy: -24.670
Base-Backbone interact. energy: 0.436
local terms energy: -38.824460
where:
bonds (distance) C4'-P energy: -10.247
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -8.451
flat angles P-C4'-P energy: -6.851
tors. eta vs tors. theta energy: 2.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -217.238248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.238248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.238248 (E_RNA)
where:
Base-Base interactions energy: -149.920
where: short stacking energy: -68.682
Base-Backbone interact. energy: -0.598
local terms energy: -66.720404
where:
bonds (distance) C4'-P energy: -10.256
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -16.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -210.300673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.300673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.300673 (E_RNA)
where:
Base-Base interactions energy: -143.714
where: short stacking energy: -62.265
Base-Backbone interact. energy: -0.099
local terms energy: -66.487627
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -17.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -204.775565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.775565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.775565 (E_RNA)
where:
Base-Base interactions energy: -144.176
where: short stacking energy: -66.078
Base-Backbone interact. energy: -0.577
local terms energy: -60.022942
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -15.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -196.938470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.938470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.938470 (E_RNA)
where:
Base-Base interactions energy: -135.674
where: short stacking energy: -55.173
Base-Backbone interact. energy: -0.085
local terms energy: -61.179542
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -11.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -187.006706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.006706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.006706 (E_RNA)
where:
Base-Base interactions energy: -129.406
where: short stacking energy: -51.528
Base-Backbone interact. energy: -0.520
local terms energy: -57.080058
where:
bonds (distance) C4'-P energy: -8.862
bonds (distance) P-C4' energy: -10.835
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -13.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -198.261614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.261614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.261614 (E_RNA)
where:
Base-Base interactions energy: -134.338
where: short stacking energy: -57.804
Base-Backbone interact. energy: -0.002
local terms energy: -63.921428
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -11.970
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -15.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -182.029551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.029551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.029551 (E_RNA)
where:
Base-Base interactions energy: -122.432
where: short stacking energy: -54.890
Base-Backbone interact. energy: -0.110
local terms energy: -59.487537
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -13.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -80.009831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.009831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.009831 (E_RNA)
where:
Base-Base interactions energy: -40.043
where: short stacking energy: -28.682
Base-Backbone interact. energy: -0.080
local terms energy: -39.886770
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -8.491
flat angles C4'-P-C4' energy: -10.042
flat angles P-C4'-P energy: -3.764
tors. eta vs tors. theta energy: -5.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -84.276857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.276857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.276857 (E_RNA)
where:
Base-Base interactions energy: -35.022
where: short stacking energy: -32.764
Base-Backbone interact. energy: -0.158
local terms energy: -49.096863
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -8.656
flat angles P-C4'-P energy: -3.980
tors. eta vs tors. theta energy: -9.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -69.823087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.823087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.823087 (E_RNA)
where:
Base-Base interactions energy: -30.237
where: short stacking energy: -24.570
Base-Backbone interact. energy: 0.830
local terms energy: -40.415934
where:
bonds (distance) C4'-P energy: -10.924
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -11.097
flat angles P-C4'-P energy: -3.401
tors. eta vs tors. theta energy: -1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -212.919629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.919629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.919629 (E_RNA)
where:
Base-Base interactions energy: -142.104
where: short stacking energy: -66.159
Base-Backbone interact. energy: -0.232
local terms energy: -70.583620
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -18.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -200.813076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.813076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.813076 (E_RNA)
where:
Base-Base interactions energy: -138.285
where: short stacking energy: -60.193
Base-Backbone interact. energy: -0.245
local terms energy: -62.283545
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -8.912
flat angles C4'-P-C4' energy: -12.760
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -16.971
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: 3
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -205.744744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.744744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.744744 (E_RNA)
where:
Base-Base interactions energy: -136.517
where: short stacking energy: -63.392
Base-Backbone interact. energy: -0.013
local terms energy: -69.214834
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -12.586
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: 4, replica: 1
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -199.975121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.975121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.975121 (E_RNA)
where:
Base-Base interactions energy: -135.911
where: short stacking energy: -57.599
Base-Backbone interact. energy: -0.085
local terms energy: -63.979202
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -10.008
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -18.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -204.191078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.191078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.191078 (E_RNA)
where:
Base-Base interactions energy: -141.401
where: short stacking energy: -61.814
Base-Backbone interact. energy: -0.551
local terms energy: -62.239093
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -9.967
flat angles C4'-P-C4' energy: -9.424
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -16.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -169.552105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.552105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.552105 (E_RNA)
where:
Base-Base interactions energy: -119.125
where: short stacking energy: -46.781
Base-Backbone interact. energy: -0.592
local terms energy: -49.835338
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -5.886
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -8.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -182.689048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.689048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.689048 (E_RNA)
where:
Base-Base interactions energy: -124.469
where: short stacking energy: -58.729
Base-Backbone interact. energy: -0.176
local terms energy: -58.044435
where:
bonds (distance) C4'-P energy: -9.462
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -11.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -80.197104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.197104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.197104 (E_RNA)
where:
Base-Base interactions energy: -36.295
where: short stacking energy: -32.573
Base-Backbone interact. energy: -0.581
local terms energy: -43.321121
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -7.235
flat angles P-C4'-P energy: -1.747
tors. eta vs tors. theta energy: -9.197
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: 10
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -90.702926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.702926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.702926 (E_RNA)
where:
Base-Base interactions energy: -46.499
where: short stacking energy: -27.959
Base-Backbone interact. energy: -0.288
local terms energy: -43.915236
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -10.535
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: 1.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -70.434758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.434758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.434758 (E_RNA)
where:
Base-Base interactions energy: -27.737
where: short stacking energy: -24.810
Base-Backbone interact. energy: -0.306
local terms energy: -42.392485
where:
bonds (distance) C4'-P energy: -9.115
bonds (distance) P-C4' energy: -12.959
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -7.144
tors. eta vs tors. theta energy: 0.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -212.488839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.488839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.488839 (E_RNA)
where:
Base-Base interactions energy: -143.024
where: short stacking energy: -66.171
Base-Backbone interact. energy: -0.003
local terms energy: -69.461663
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -17.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -207.516032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.516032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.516032 (E_RNA)
where:
Base-Base interactions energy: -139.220
where: short stacking energy: -56.994
Base-Backbone interact. energy: -0.006
local terms energy: -68.290182
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -9.267
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -18.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -208.512693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.512693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.512693 (E_RNA)
where:
Base-Base interactions energy: -143.348
where: short stacking energy: -68.729
Base-Backbone interact. energy: 2.628
local terms energy: -67.792372
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -11.475
tors. eta vs tors. theta energy: -19.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -205.698240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.698240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.698240 (E_RNA)
where:
Base-Base interactions energy: -139.107
where: short stacking energy: -65.883
Base-Backbone interact. energy: -0.036
local terms energy: -66.554619
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -18.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -204.800967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.800967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.800967 (E_RNA)
where:
Base-Base interactions energy: -143.653
where: short stacking energy: -55.043
Base-Backbone interact. energy: -0.732
local terms energy: -60.415853
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -11.548
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: 6
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -193.002345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.002345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.002345 (E_RNA)
where:
Base-Base interactions energy: -131.462
where: short stacking energy: -57.715
Base-Backbone interact. energy: -0.000
local terms energy: -61.539860
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -5.086
tors. eta vs tors. theta energy: -17.168
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: 9
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -184.706832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.706832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.706832 (E_RNA)
where:
Base-Base interactions energy: -122.217
where: short stacking energy: -52.831
Base-Backbone interact. energy: -0.000
local terms energy: -62.489035
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -10.886
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -15.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -122.142768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.142768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.142768 (E_RNA)
where:
Base-Base interactions energy: -79.746
where: short stacking energy: -25.492
Base-Backbone interact. energy: -0.221
local terms energy: -42.175751
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -11.853
flat angles C4'-P-C4' energy: -7.957
flat angles P-C4'-P energy: -6.451
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: 7
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -78.094716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.094716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.094716 (E_RNA)
where:
Base-Base interactions energy: -31.594
where: short stacking energy: -22.043
Base-Backbone interact. energy: -0.404
local terms energy: -46.096629
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -15.002
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -7.148
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: 8
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -68.913730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.913730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.913730 (E_RNA)
where:
Base-Base interactions energy: -27.023
where: short stacking energy: -27.023
Base-Backbone interact. energy: -0.048
local terms energy: -41.842726
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -10.594
flat angles C4'-P-C4' energy: -9.413
flat angles P-C4'-P energy: -5.928
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: 1, replica: 4
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -206.338647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.338647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.338647 (E_RNA)
where:
Base-Base interactions energy: -141.962
where: short stacking energy: -70.366
Base-Backbone interact. energy: -0.592
local terms energy: -63.784361
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -16.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -214.429158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.429158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.429158 (E_RNA)
where:
Base-Base interactions energy: -145.842
where: short stacking energy: -68.618
Base-Backbone interact. energy: -0.004
local terms energy: -68.582951
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -19.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -204.392041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.392041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.392041 (E_RNA)
where:
Base-Base interactions energy: -138.431
where: short stacking energy: -66.319
Base-Backbone interact. energy: -0.005
local terms energy: -65.956042
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -18.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -210.468766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.468766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.468766 (E_RNA)
where:
Base-Base interactions energy: -140.838
where: short stacking energy: -64.292
Base-Backbone interact. energy: -0.001
local terms energy: -69.629483
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -12.794
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -18.894
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: 5, replica: 6
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -193.811634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.811634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.811634 (E_RNA)
where:
Base-Base interactions energy: -134.837
where: short stacking energy: -54.383
Base-Backbone interact. energy: -0.004
local terms energy: -58.970685
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -10.928
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -15.585
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: 52
Temperature: 1.150000
Total energy: -196.589202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.589202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.589202 (E_RNA)
where:
Base-Base interactions energy: -136.133
where: short stacking energy: -59.650
Base-Backbone interact. energy: -0.199
local terms energy: -60.257184
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -11.781
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -6.816
tors. eta vs tors. theta energy: -12.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -193.103406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.103406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.103406 (E_RNA)
where:
Base-Base interactions energy: -134.250
where: short stacking energy: -60.351
Base-Backbone interact. energy: -0.025
local terms energy: -58.829028
where:
bonds (distance) C4'-P energy: -8.633
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -15.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -99.281248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.281248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.281248 (E_RNA)
where:
Base-Base interactions energy: -53.316
where: short stacking energy: -31.345
Base-Backbone interact. energy: -0.077
local terms energy: -45.887553
where:
bonds (distance) C4'-P energy: -11.514
bonds (distance) P-C4' energy: -12.524
flat angles C4'-P-C4' energy: -11.087
flat angles P-C4'-P energy: -7.075
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: 8
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -77.180286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.180286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.180286 (E_RNA)
where:
Base-Base interactions energy: -28.615
where: short stacking energy: -28.615
Base-Backbone interact. energy: -0.088
local terms energy: -48.477264
where:
bonds (distance) C4'-P energy: -10.136
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -4.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -70.586989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.586989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.586989 (E_RNA)
where:
Base-Base interactions energy: -28.599
where: short stacking energy: -28.599
Base-Backbone interact. energy: 0.248
local terms energy: -42.236088
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -7.083
flat angles C4'-P-C4' energy: -6.051
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -4.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -207.604223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.604223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.604223 (E_RNA)
where:
Base-Base interactions energy: -137.600
where: short stacking energy: -68.423
Base-Backbone interact. energy: -0.001
local terms energy: -70.003721
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -17.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -206.611747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.611747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.611747 (E_RNA)
where:
Base-Base interactions energy: -138.178
where: short stacking energy: -68.979
Base-Backbone interact. energy: -0.029
local terms energy: -68.405238
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -17.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -210.321099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.321099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.321099 (E_RNA)
where:
Base-Base interactions energy: -142.052
where: short stacking energy: -68.313
Base-Backbone interact. energy: -0.201
local terms energy: -68.068059
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -14.429
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -5.243
tors. eta vs tors. theta energy: -20.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -201.175455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.175455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.175455 (E_RNA)
where:
Base-Base interactions energy: -136.987
where: short stacking energy: -54.955
Base-Backbone interact. energy: -0.833
local terms energy: -63.355634
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -15.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -203.294367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.294367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.294367 (E_RNA)
where:
Base-Base interactions energy: -137.597
where: short stacking energy: -65.662
Base-Backbone interact. energy: -0.277
local terms energy: -65.420617
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -5.366
tors. eta vs tors. theta energy: -18.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -202.324948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.324948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.324948 (E_RNA)
where:
Base-Base interactions energy: -139.982
where: short stacking energy: -58.459
Base-Backbone interact. energy: -0.276
local terms energy: -62.066790
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -10.741
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -13.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -184.631877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.631877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.631877 (E_RNA)
where:
Base-Base interactions energy: -134.978
where: short stacking energy: -61.144
Base-Backbone interact. energy: 2.312
local terms energy: -51.965849
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -9.571
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -11.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -92.486246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.486246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.486246 (E_RNA)
where:
Base-Base interactions energy: -38.950
where: short stacking energy: -34.433
Base-Backbone interact. energy: -0.051
local terms energy: -53.485087
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -9.900
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -10.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -104.588715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.588715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.588715 (E_RNA)
where:
Base-Base interactions energy: -60.707
where: short stacking energy: -27.762
Base-Backbone interact. energy: -0.102
local terms energy: -43.779954
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -10.774
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -1.100
tors. eta vs tors. theta energy: -6.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -78.339547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.339547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.339547 (E_RNA)
where:
Base-Base interactions energy: -32.082
where: short stacking energy: -28.699
Base-Backbone interact. energy: 0.045
local terms energy: -46.301816
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -1.090
tors. eta vs tors. theta energy: -1.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -213.893917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.893917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.893917 (E_RNA)
where:
Base-Base interactions energy: -144.294
where: short stacking energy: -67.633
Base-Backbone interact. energy: -0.000
local terms energy: -69.600042
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -11.696
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -17.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -208.385700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.385700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.385700 (E_RNA)
where:
Base-Base interactions energy: -143.043
where: short stacking energy: -61.627
Base-Backbone interact. energy: -0.019
local terms energy: -65.323520
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -9.772
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -16.878
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: 6
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -204.386619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.386619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.386619 (E_RNA)
where:
Base-Base interactions energy: -136.861
where: short stacking energy: -64.020
Base-Backbone interact. energy: -0.288
local terms energy: -67.237538
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -16.253
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -15.746
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: 4, replica: 2
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -202.607580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.607580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.607580 (E_RNA)
where:
Base-Base interactions energy: -134.649
where: short stacking energy: -65.818
Base-Backbone interact. energy: -0.060
local terms energy: -67.898911
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -17.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -202.882028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.882028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.882028 (E_RNA)
where:
Base-Base interactions energy: -134.651
where: short stacking energy: -64.010
Base-Backbone interact. energy: -0.162
local terms energy: -68.069743
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -6.282
tors. eta vs tors. theta energy: -18.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -197.165065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.165065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.165065 (E_RNA)
where:
Base-Base interactions energy: -137.547
where: short stacking energy: -59.288
Base-Backbone interact. energy: -0.328
local terms energy: -59.289742
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -10.640
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -14.453
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: 7, replica: 5
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -180.137107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.137107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.137107 (E_RNA)
where:
Base-Base interactions energy: -124.134
where: short stacking energy: -54.581
Base-Backbone interact. energy: -0.728
local terms energy: -55.275167
where:
bonds (distance) C4'-P energy: -9.168
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -12.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -79.999170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.999170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.999170 (E_RNA)
where:
Base-Base interactions energy: -38.092
where: short stacking energy: -31.350
Base-Backbone interact. energy: -0.127
local terms energy: -41.780239
where:
bonds (distance) C4'-P energy: -10.355
bonds (distance) P-C4' energy: -9.628
flat angles C4'-P-C4' energy: -8.459
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -5.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -72.674397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.674397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.674397 (E_RNA)
where:
Base-Base interactions energy: -37.096
where: short stacking energy: -28.843
Base-Backbone interact. energy: -0.216
local terms energy: -35.363045
where:
bonds (distance) C4'-P energy: -6.850
bonds (distance) P-C4' energy: -8.444
flat angles C4'-P-C4' energy: -11.343
flat angles P-C4'-P energy: -2.915
tors. eta vs tors. theta energy: -5.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -131.247733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.247733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.247733 (E_RNA)
where:
Base-Base interactions energy: -84.230
where: short stacking energy: -38.796
Base-Backbone interact. energy: -0.242
local terms energy: -46.775555
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -6.244
tors. eta vs tors. theta energy: -7.398
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: 1, replica: 1
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -214.243978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.243978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.243978 (E_RNA)
where:
Base-Base interactions energy: -142.081
where: short stacking energy: -69.807
Base-Backbone interact. energy: -0.012
local terms energy: -72.150954
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -18.284
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: 4
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -205.955392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.955392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.955392 (E_RNA)
where:
Base-Base interactions energy: -142.425
where: short stacking energy: -66.104
Base-Backbone interact. energy: -0.002
local terms energy: -63.528873
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -12.086
flat angles C4'-P-C4' energy: -11.308
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -16.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -200.781788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.781788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.781788 (E_RNA)
where:
Base-Base interactions energy: -134.172
where: short stacking energy: -59.851
Base-Backbone interact. energy: -0.001
local terms energy: -66.609319
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -19.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -193.660291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.660291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.660291 (E_RNA)
where:
Base-Base interactions energy: -134.052
where: short stacking energy: -60.063
Base-Backbone interact. energy: -0.063
local terms energy: -59.544632
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -13.252
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -14.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -193.618930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.618930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.618930 (E_RNA)
where:
Base-Base interactions energy: -138.706
where: short stacking energy: -54.564
Base-Backbone interact. energy: -0.032
local terms energy: -54.881231
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -9.723
flat angles P-C4'-P energy: -6.061
tors. eta vs tors. theta energy: -13.094
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: 6, replica: 5
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -191.263328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.263328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.263328 (E_RNA)
where:
Base-Base interactions energy: -134.318
where: short stacking energy: -52.903
Base-Backbone interact. energy: -0.289
local terms energy: -56.656047
where:
bonds (distance) C4'-P energy: -10.502
bonds (distance) P-C4' energy: -11.787
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -13.793
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: 3
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -196.266771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.266771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.266771 (E_RNA)
where:
Base-Base interactions energy: -134.180
where: short stacking energy: -56.939
Base-Backbone interact. energy: 0.795
local terms energy: -62.882191
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -10.577
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -16.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -91.008991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.008991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.008991 (E_RNA)
where:
Base-Base interactions energy: -37.478
where: short stacking energy: -37.478
Base-Backbone interact. energy: -0.097
local terms energy: -53.433523
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -3.262
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: 9, replica: 8
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -71.100819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.100819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.100819 (E_RNA)
where:
Base-Base interactions energy: -22.491
where: short stacking energy: -21.647
Base-Backbone interact. energy: -0.886
local terms energy: -47.723956
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -9.289
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: -1.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -91.886475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.886475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.886475 (E_RNA)
where:
Base-Base interactions energy: -56.074
where: short stacking energy: -29.017
Base-Backbone interact. energy: -0.007
local terms energy: -35.805443
where:
bonds (distance) C4'-P energy: -6.416
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -6.787
flat angles P-C4'-P energy: -4.046
tors. eta vs tors. theta energy: -5.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -205.654732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.654732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.654732 (E_RNA)
where:
Base-Base interactions energy: -139.137
where: short stacking energy: -67.939
Base-Backbone interact. energy: -0.218
local terms energy: -66.299840
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -11.657
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -17.890
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: 2, replica: 1
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -206.067066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.067066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.067066 (E_RNA)
where:
Base-Base interactions energy: -137.377
where: short stacking energy: -64.923
Base-Backbone interact. energy: -0.921
local terms energy: -67.768556
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -18.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -198.824927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.824927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.824927 (E_RNA)
where:
Base-Base interactions energy: -132.524
where: short stacking energy: -56.999
Base-Backbone interact. energy: -0.140
local terms energy: -66.161676
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -11.353
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -13.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -202.198082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.198082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.198082 (E_RNA)
where:
Base-Base interactions energy: -137.823
where: short stacking energy: -60.277
Base-Backbone interact. energy: -0.001
local terms energy: -64.374103
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -11.441
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -16.433
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: 5
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -197.796066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.796066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.796066 (E_RNA)
where:
Base-Base interactions energy: -134.104
where: short stacking energy: -58.616
Base-Backbone interact. energy: -0.476
local terms energy: -63.215899
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -11.865
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -15.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -193.692443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.692443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.692443 (E_RNA)
where:
Base-Base interactions energy: -125.491
where: short stacking energy: -60.476
Base-Backbone interact. energy: -1.029
local terms energy: -67.171481
where:
bonds (distance) C4'-P energy: -9.193
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -18.417
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: 3
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -196.613194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.613194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.613194 (E_RNA)
where:
Base-Base interactions energy: -137.712
where: short stacking energy: -61.160
Base-Backbone interact. energy: 0.396
local terms energy: -59.296612
where:
bonds (distance) C4'-P energy: -9.998
bonds (distance) P-C4' energy: -12.023
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -16.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -73.877541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.877541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.877541 (E_RNA)
where:
Base-Base interactions energy: -28.932
where: short stacking energy: -28.922
Base-Backbone interact. energy: -0.167
local terms energy: -44.777962
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -7.441
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: -3.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -80.720733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.720733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.720733 (E_RNA)
where:
Base-Base interactions energy: -32.555
where: short stacking energy: -32.429
Base-Backbone interact. energy: -0.059
local terms energy: -48.106309
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -8.086
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: -7.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -68.394596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.394596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.394596 (E_RNA)
where:
Base-Base interactions energy: -30.644
where: short stacking energy: -26.592
Base-Backbone interact. energy: -0.224
local terms energy: -37.526261
where:
bonds (distance) C4'-P energy: -7.010
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -3.433
tors. eta vs tors. theta energy: -1.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -210.943411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.943411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.943411 (E_RNA)
where:
Base-Base interactions energy: -140.318
where: short stacking energy: -64.534
Base-Backbone interact. energy: -0.161
local terms energy: -70.464286
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -16.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -206.279007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.279007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.279007 (E_RNA)
where:
Base-Base interactions energy: -136.780
where: short stacking energy: -60.083
Base-Backbone interact. energy: -0.351
local terms energy: -69.147874
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -15.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -209.014284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.014284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.014284 (E_RNA)
where:
Base-Base interactions energy: -143.147
where: short stacking energy: -64.721
Base-Backbone interact. energy: -1.626
local terms energy: -64.241488
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -11.164
flat angles C4'-P-C4' energy: -11.367
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -19.028
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: 6
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -203.138058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.138058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.138058 (E_RNA)
where:
Base-Base interactions energy: -134.966
where: short stacking energy: -61.489
Base-Backbone interact. energy: -0.414
local terms energy: -67.758204
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -16.290
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: 5
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -192.665016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.665016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.665016 (E_RNA)
where:
Base-Base interactions energy: -134.341
where: short stacking energy: -51.243
Base-Backbone interact. energy: -0.859
local terms energy: -57.465220
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -9.160
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -14.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -207.143984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.143984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.143984 (E_RNA)
where:
Base-Base interactions energy: -143.460
where: short stacking energy: -66.193
Base-Backbone interact. energy: 0.181
local terms energy: -63.865373
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -6.305
tors. eta vs tors. theta energy: -16.818
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: 2
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -188.985629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.985629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.985629 (E_RNA)
where:
Base-Base interactions energy: -131.800
where: short stacking energy: -57.935
Base-Backbone interact. energy: -0.008
local terms energy: -57.176737
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -4.941
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -16.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -87.306802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.306802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.306802 (E_RNA)
where:
Base-Base interactions energy: -50.315
where: short stacking energy: -26.869
Base-Backbone interact. energy: -0.489
local terms energy: -36.503512
where:
bonds (distance) C4'-P energy: -9.097
bonds (distance) P-C4' energy: -7.750
flat angles C4'-P-C4' energy: -9.719
flat angles P-C4'-P energy: -6.020
tors. eta vs tors. theta energy: -3.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -68.106560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.106560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.106560 (E_RNA)
where:
Base-Base interactions energy: -29.294
where: short stacking energy: -29.087
Base-Backbone interact. energy: 2.809
local terms energy: -41.621417
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -7.806
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -2.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -65.562684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.562684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.562684 (E_RNA)
where:
Base-Base interactions energy: -19.902
where: short stacking energy: -15.954
Base-Backbone interact. energy: -0.368
local terms energy: -45.292219
where:
bonds (distance) C4'-P energy: -11.384
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -8.594
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: 1, replica: 9
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -210.171474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.171474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.171474 (E_RNA)
where:
Base-Base interactions energy: -143.090
where: short stacking energy: -63.487
Base-Backbone interact. energy: -0.101
local terms energy: -66.980233
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -11.403
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -16.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -211.973767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.973767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.973767 (E_RNA)
where:
Base-Base interactions energy: -141.901
where: short stacking energy: -62.413
Base-Backbone interact. energy: -0.100
local terms energy: -69.972682
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -17.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -201.969677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.969677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.969677 (E_RNA)
where:
Base-Base interactions energy: -133.058
where: short stacking energy: -61.526
Base-Backbone interact. energy: -0.001
local terms energy: -68.910183
where:
bonds (distance) C4'-P energy: -11.741
bonds (distance) P-C4' energy: -10.848
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -18.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -202.821568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.821568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.821568 (E_RNA)
where:
Base-Base interactions energy: -138.451
where: short stacking energy: -59.867
Base-Backbone interact. energy: -0.123
local terms energy: -64.247817
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -15.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -197.186610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.186610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.186610 (E_RNA)
where:
Base-Base interactions energy: -135.872
where: short stacking energy: -61.020
Base-Backbone interact. energy: -0.122
local terms energy: -61.191774
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -11.914
flat angles C4'-P-C4' energy: -9.297
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -17.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -189.982454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.982454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.982454 (E_RNA)
where:
Base-Base interactions energy: -128.130
where: short stacking energy: -55.297
Base-Backbone interact. energy: -0.191
local terms energy: -61.661355
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -10.326
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -13.835
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: 2
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -193.659151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.659151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.659151 (E_RNA)
where:
Base-Base interactions energy: -123.289
where: short stacking energy: -57.948
Base-Backbone interact. energy: -0.002
local terms energy: -70.367553
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -15.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -96.959101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.959101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.959101 (E_RNA)
where:
Base-Base interactions energy: -48.192
where: short stacking energy: -35.504
Base-Backbone interact. energy: -0.872
local terms energy: -47.894250
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -10.732
flat angles C4'-P-C4' energy: -7.223
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -8.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -81.588128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.588128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.588128 (E_RNA)
where:
Base-Base interactions energy: -42.305
where: short stacking energy: -24.225
Base-Backbone interact. energy: -0.172
local terms energy: -39.110768
where:
bonds (distance) C4'-P energy: -7.049
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -9.141
flat angles P-C4'-P energy: -8.089
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: 7
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -73.185802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.185802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.185802 (E_RNA)
where:
Base-Base interactions energy: -25.169
where: short stacking energy: -25.729
Base-Backbone interact. energy: -0.007
local terms energy: -48.009597
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -4.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -212.740123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.740123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.740123 (E_RNA)
where:
Base-Base interactions energy: -141.131
where: short stacking energy: -59.593
Base-Backbone interact. energy: -0.210
local terms energy: -71.398694
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -16.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -205.641097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.641097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.641097 (E_RNA)
where:
Base-Base interactions energy: -140.177
where: short stacking energy: -60.860
Base-Backbone interact. energy: -0.016
local terms energy: -65.447740
where:
bonds (distance) C4'-P energy: -12.423
bonds (distance) P-C4' energy: -10.922
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -17.544
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: 4
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -204.713780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.713780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.713780 (E_RNA)
where:
Base-Base interactions energy: -142.157
where: short stacking energy: -64.995
Base-Backbone interact. energy: -0.007
local terms energy: -62.549938
where:
bonds (distance) C4'-P energy: -10.583
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -19.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -204.948839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.948839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.948839 (E_RNA)
where:
Base-Base interactions energy: -140.218
where: short stacking energy: -61.234
Base-Backbone interact. energy: -0.908
local terms energy: -63.822321
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -15.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -197.643618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.643618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.643618 (E_RNA)
where:
Base-Base interactions energy: -131.616
where: short stacking energy: -65.078
Base-Backbone interact. energy: -0.009
local terms energy: -66.018436
where:
bonds (distance) C4'-P energy: -9.457
bonds (distance) P-C4' energy: -11.670
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -12.185
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: 6, replica: 2
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -183.716816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.716816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.716816 (E_RNA)
where:
Base-Base interactions energy: -130.809
where: short stacking energy: -56.658
Base-Backbone interact. energy: -0.269
local terms energy: -52.638783
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -1.981
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -10.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -191.576836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.576836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.576836 (E_RNA)
where:
Base-Base interactions energy: -126.563
where: short stacking energy: -64.749
Base-Backbone interact. energy: -0.002
local terms energy: -65.011022
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -6.205
tors. eta vs tors. theta energy: -16.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -75.359879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.359879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.359879 (E_RNA)
where:
Base-Base interactions energy: -31.484
where: short stacking energy: -20.659
Base-Backbone interact. energy: -0.798
local terms energy: -43.077825
where:
bonds (distance) C4'-P energy: -10.595
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -2.394
tors. eta vs tors. theta energy: -5.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -69.929339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.929339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.929339 (E_RNA)
where:
Base-Base interactions energy: -31.724
where: short stacking energy: -21.617
Base-Backbone interact. energy: -0.126
local terms energy: -38.079766
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -2.430
tors. eta vs tors. theta energy: 1.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -74.638201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.638201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.638201 (E_RNA)
where:
Base-Base interactions energy: -22.825
where: short stacking energy: -22.825
Base-Backbone interact. energy: -0.008
local terms energy: -51.805755
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -4.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -213.473586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.473586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.473586 (E_RNA)
where:
Base-Base interactions energy: -141.963
where: short stacking energy: -67.788
Base-Backbone interact. energy: -0.016
local terms energy: -71.494194
where:
bonds (distance) C4'-P energy: -13.890
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -9.909
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: 2, replica: 9
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -201.308946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.308946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.308946 (E_RNA)
where:
Base-Base interactions energy: -138.957
where: short stacking energy: -56.211
Base-Backbone interact. energy: -0.084
local terms energy: -62.268409
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -13.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -208.756617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.756617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.756617 (E_RNA)
where:
Base-Base interactions energy: -143.021
where: short stacking energy: -67.880
Base-Backbone interact. energy: -0.242
local terms energy: -65.493734
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -12.950
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -18.208
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: 4
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -199.047017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.047017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.047017 (E_RNA)
where:
Base-Base interactions energy: -136.566
where: short stacking energy: -67.161
Base-Backbone interact. energy: -0.051
local terms energy: -62.429823
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -8.977
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -18.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -196.522966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.522966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.522966 (E_RNA)
where:
Base-Base interactions energy: -134.397
where: short stacking energy: -57.104
Base-Backbone interact. energy: -0.244
local terms energy: -61.881802
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -6.464
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: 6, replica: 3
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -192.528630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.528630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.528630 (E_RNA)
where:
Base-Base interactions energy: -130.557
where: short stacking energy: -64.652
Base-Backbone interact. energy: -0.004
local terms energy: -61.968307
where:
bonds (distance) C4'-P energy: -10.779
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -5.787
tors. eta vs tors. theta energy: -18.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -182.627958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.627958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.627958 (E_RNA)
where:
Base-Base interactions energy: -122.966
where: short stacking energy: -54.493
Base-Backbone interact. energy: -0.154
local terms energy: -59.507901
where:
bonds (distance) C4'-P energy: -9.341
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -13.735
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: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -94.828558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.828558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.828558 (E_RNA)
where:
Base-Base interactions energy: -43.629
where: short stacking energy: -36.739
Base-Backbone interact. energy: -0.104
local terms energy: -51.095467
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -9.796
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: 7
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -77.166820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.166820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.166820 (E_RNA)
where:
Base-Base interactions energy: -29.989
where: short stacking energy: -29.989
Base-Backbone interact. energy: -0.008
local terms energy: -47.169103
where:
bonds (distance) C4'-P energy: -5.876
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -5.153
tors. eta vs tors. theta energy: -10.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -111.829062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.829062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.829062 (E_RNA)
where:
Base-Base interactions energy: -57.223
where: short stacking energy: -19.497
Base-Backbone interact. energy: -0.931
local terms energy: -53.675718
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -0.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -208.995134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.995134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.995134 (E_RNA)
where:
Base-Base interactions energy: -147.197
where: short stacking energy: -68.850
Base-Backbone interact. energy: -0.188
local terms energy: -61.609435
where:
bonds (distance) C4'-P energy: -9.759
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -14.646
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: 2, replica: 1
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -215.769691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.769691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.769691 (E_RNA)
where:
Base-Base interactions energy: -145.592
where: short stacking energy: -69.914
Base-Backbone interact. energy: -0.003
local terms energy: -70.174765
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -19.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -197.435436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.435436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.435436 (E_RNA)
where:
Base-Base interactions energy: -135.375
where: short stacking energy: -60.222
Base-Backbone interact. energy: -0.176
local terms energy: -61.884241
where:
bonds (distance) C4'-P energy: -9.197
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -6.550
tors. eta vs tors. theta energy: -19.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -210.450146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.450146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.450146 (E_RNA)
where:
Base-Base interactions energy: -142.582
where: short stacking energy: -65.157
Base-Backbone interact. energy: -2.020
local terms energy: -65.847430
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -12.259
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: -18.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -194.064362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.064362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.064362 (E_RNA)
where:
Base-Base interactions energy: -129.297
where: short stacking energy: -60.809
Base-Backbone interact. energy: -0.005
local terms energy: -64.762014
where:
bonds (distance) C4'-P energy: -8.977
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -17.962
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: 5
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -192.735097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.735097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.735097 (E_RNA)
where:
Base-Base interactions energy: -132.371
where: short stacking energy: -62.419
Base-Backbone interact. energy: 0.528
local terms energy: -60.891518
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -10.381
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -6.662
tors. eta vs tors. theta energy: -16.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -198.708523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.708523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.708523 (E_RNA)
where:
Base-Base interactions energy: -138.655
where: short stacking energy: -57.303
Base-Backbone interact. energy: -0.031
local terms energy: -60.022870
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -11.144
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: -16.202
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: 7
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -77.197039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.197039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.197039 (E_RNA)
where:
Base-Base interactions energy: -26.637
where: short stacking energy: -26.637
Base-Backbone interact. energy: -0.171
local terms energy: -50.389853
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -10.659
flat angles C4'-P-C4' energy: -9.981
flat angles P-C4'-P energy: -10.152
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: 8
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -100.296769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.296769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.296769 (E_RNA)
where:
Base-Base interactions energy: -49.170
where: short stacking energy: -24.769
Base-Backbone interact. energy: -0.377
local terms energy: -50.749885
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -12.308
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -2.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -106.505119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.505119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.505119 (E_RNA)
where:
Base-Base interactions energy: -58.127
where: short stacking energy: -34.061
Base-Backbone interact. energy: -0.106
local terms energy: -48.272323
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -9.343
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -4.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -210.699529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.699529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.699529 (E_RNA)
where:
Base-Base interactions energy: -143.304
where: short stacking energy: -66.308
Base-Backbone interact. energy: -0.001
local terms energy: -67.393921
where:
bonds (distance) C4'-P energy: -10.764
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -18.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -209.567588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.567588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.567588 (E_RNA)
where:
Base-Base interactions energy: -141.585
where: short stacking energy: -67.866
Base-Backbone interact. energy: -0.587
local terms energy: -67.395779
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -15.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -208.699683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.699683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.699683 (E_RNA)
where:
Base-Base interactions energy: -143.671
where: short stacking energy: -53.428
Base-Backbone interact. energy: -0.112
local terms energy: -64.916600
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -9.387
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: 4, replica: 2
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -207.563197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.563197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.563197 (E_RNA)
where:
Base-Base interactions energy: -137.527
where: short stacking energy: -60.632
Base-Backbone interact. energy: -0.501
local terms energy: -69.534631
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -11.164
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: 5, replica: 4
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -197.195414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.195414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.195414 (E_RNA)
where:
Base-Base interactions energy: -128.723
where: short stacking energy: -63.617
Base-Backbone interact. energy: -0.192
local terms energy: -68.280937
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -17.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -194.261204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.261204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.261204 (E_RNA)
where:
Base-Base interactions energy: -132.306
where: short stacking energy: -61.941
Base-Backbone interact. energy: -0.001
local terms energy: -61.954813
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -8.406
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -17.994
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: 7, replica: 3
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -185.108083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.108083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.108083 (E_RNA)
where:
Base-Base interactions energy: -120.089
where: short stacking energy: -55.898
Base-Backbone interact. energy: -0.178
local terms energy: -64.841084
where:
bonds (distance) C4'-P energy: -9.042
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -16.075
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: 7
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -77.381565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.381565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.381565 (E_RNA)
where:
Base-Base interactions energy: -32.117
where: short stacking energy: -26.533
Base-Backbone interact. energy: -0.254
local terms energy: -45.009980
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -12.142
flat angles C4'-P-C4' energy: -10.158
flat angles P-C4'-P energy: -4.266
tors. eta vs tors. theta energy: -6.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -74.802086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.802086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.802086 (E_RNA)
where:
Base-Base interactions energy: -26.627
where: short stacking energy: -26.627
Base-Backbone interact. energy: -0.106
local terms energy: -48.069782
where:
bonds (distance) C4'-P energy: -9.532
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -5.388
tors. eta vs tors. theta energy: -6.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -80.645134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.645134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.645134 (E_RNA)
where:
Base-Base interactions energy: -32.906
where: short stacking energy: -28.987
Base-Backbone interact. energy: -0.007
local terms energy: -47.732395
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -9.354
flat angles P-C4'-P energy: -6.952
tors. eta vs tors. theta energy: -5.678
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: 1
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -222.538442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.538442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.538442 (E_RNA)
where:
Base-Base interactions energy: -150.399
where: short stacking energy: -70.034
Base-Backbone interact. energy: -1.264
local terms energy: -70.874769
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -20.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -213.123898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.123898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.123898 (E_RNA)
where:
Base-Base interactions energy: -142.018
where: short stacking energy: -64.555
Base-Backbone interact. energy: -1.253
local terms energy: -69.853424
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -10.406
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: 3, replica: 6
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -203.628696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.628696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.628696 (E_RNA)
where:
Base-Base interactions energy: -136.268
where: short stacking energy: -62.890
Base-Backbone interact. energy: -0.290
local terms energy: -67.070995
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -17.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -190.800759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.800759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.800759 (E_RNA)
where:
Base-Base interactions energy: -130.155
where: short stacking energy: -52.257
Base-Backbone interact. energy: 0.370
local terms energy: -61.015410
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -10.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -200.178397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.178397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.178397 (E_RNA)
where:
Base-Base interactions energy: -139.775
where: short stacking energy: -56.307
Base-Backbone interact. energy: -0.442
local terms energy: -59.961574
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -11.129
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -15.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -192.708828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.708828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.708828 (E_RNA)
where:
Base-Base interactions energy: -126.318
where: short stacking energy: -57.453
Base-Backbone interact. energy: -0.013
local terms energy: -66.378060
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -16.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -197.103230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.103230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.103230 (E_RNA)
where:
Base-Base interactions energy: -134.282
where: short stacking energy: -61.954
Base-Backbone interact. energy: -0.181
local terms energy: -62.640052
where:
bonds (distance) C4'-P energy: -10.114
bonds (distance) P-C4' energy: -8.428
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -20.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -112.663372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.663372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.663372 (E_RNA)
where:
Base-Base interactions energy: -71.028
where: short stacking energy: -34.829
Base-Backbone interact. energy: 3.374
local terms energy: -45.009936
where:
bonds (distance) C4'-P energy: -9.918
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -8.821
flat angles P-C4'-P energy: -4.582
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: 9, replica: 7
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -76.702215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.702215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.702215 (E_RNA)
where:
Base-Base interactions energy: -32.551
where: short stacking energy: -32.551
Base-Backbone interact. energy: -0.341
local terms energy: -43.810669
where:
bonds (distance) C4'-P energy: -1.087
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -10.011
tors. eta vs tors. theta energy: -5.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -79.089651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.089651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.089651 (E_RNA)
where:
Base-Base interactions energy: -44.920
where: short stacking energy: -29.793
Base-Backbone interact. energy: 1.436
local terms energy: -35.605905
where:
bonds (distance) C4'-P energy: -8.241
bonds (distance) P-C4' energy: -11.783
flat angles C4'-P-C4' energy: -7.442
flat angles P-C4'-P energy: -6.107
tors. eta vs tors. theta energy: -2.034
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: 9
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -212.546681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.546681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.546681 (E_RNA)
where:
Base-Base interactions energy: -139.639
where: short stacking energy: -64.527
Base-Backbone interact. energy: -0.917
local terms energy: -71.990633
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -18.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -205.473544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.473544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.473544 (E_RNA)
where:
Base-Base interactions energy: -139.290
where: short stacking energy: -65.316
Base-Backbone interact. energy: -0.041
local terms energy: -66.142727
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -17.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -205.140444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.140444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.140444 (E_RNA)
where:
Base-Base interactions energy: -141.730
where: short stacking energy: -63.426
Base-Backbone interact. energy: -1.301
local terms energy: -62.109510
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -13.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -190.287513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.287513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.287513 (E_RNA)
where:
Base-Base interactions energy: -133.148
where: short stacking energy: -55.419
Base-Backbone interact. energy: -0.589
local terms energy: -56.550397
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -7.155
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: 5, replica: 4
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -205.452468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.452468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.452468 (E_RNA)
where:
Base-Base interactions energy: -143.865
where: short stacking energy: -56.813
Base-Backbone interact. energy: -0.065
local terms energy: -61.521481
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -14.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -199.378789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.378789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.378789 (E_RNA)
where:
Base-Base interactions energy: -140.491
where: short stacking energy: -65.804
Base-Backbone interact. energy: -1.480
local terms energy: -57.407545
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -11.472
flat angles C4'-P-C4' energy: -11.589
flat angles P-C4'-P energy: -6.075
tors. eta vs tors. theta energy: -15.884
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: 3
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -184.387269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.387269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.387269 (E_RNA)
where:
Base-Base interactions energy: -136.650
where: short stacking energy: -55.170
Base-Backbone interact. energy: -0.017
local terms energy: -47.720315
where:
bonds (distance) C4'-P energy: -10.106
bonds (distance) P-C4' energy: -9.155
flat angles C4'-P-C4' energy: -5.840
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -13.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -129.147733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.147733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.147733 (E_RNA)
where:
Base-Base interactions energy: -85.357
where: short stacking energy: -37.251
Base-Backbone interact. energy: -0.339
local terms energy: -43.451977
where:
bonds (distance) C4'-P energy: -9.528
bonds (distance) P-C4' energy: -10.679
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -5.057
tors. eta vs tors. theta energy: -5.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -86.798931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.798931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.798931 (E_RNA)
where:
Base-Base interactions energy: -38.554
where: short stacking energy: -38.554
Base-Backbone interact. energy: -0.019
local terms energy: -48.225584
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -10.666
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -1.674
tors. eta vs tors. theta energy: -7.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -65.078650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.078650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.078650 (E_RNA)
where:
Base-Base interactions energy: -17.235
where: short stacking energy: -18.635
Base-Backbone interact. energy: 0.725
local terms energy: -48.568501
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -8.956
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: 9
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -210.759351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.759351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.759351 (E_RNA)
where:
Base-Base interactions energy: -141.083
where: short stacking energy: -66.962
Base-Backbone interact. energy: -0.668
local terms energy: -69.008164
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -10.635
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -18.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -213.624674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.624674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.624674 (E_RNA)
where:
Base-Base interactions energy: -144.098
where: short stacking energy: -66.896
Base-Backbone interact. energy: 0.280
local terms energy: -69.806492
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -18.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -204.159639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.159639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.159639 (E_RNA)
where:
Base-Base interactions energy: -133.823
where: short stacking energy: -63.606
Base-Backbone interact. energy: -0.015
local terms energy: -70.321634
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -18.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -199.839057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.839057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.839057 (E_RNA)
where:
Base-Base interactions energy: -139.616
where: short stacking energy: -50.115
Base-Backbone interact. energy: -0.263
local terms energy: -59.959679
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -14.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -180.263084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.263084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.263084 (E_RNA)
where:
Base-Base interactions energy: -120.176
where: short stacking energy: -52.862
Base-Backbone interact. energy: -0.025
local terms energy: -60.061720
where:
bonds (distance) C4'-P energy: -7.529
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -11.410
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -16.354
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: 6, replica: 5
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -199.410803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.410803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.410803 (E_RNA)
where:
Base-Base interactions energy: -133.672
where: short stacking energy: -61.169
Base-Backbone interact. energy: -0.001
local terms energy: -65.738075
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -8.927
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: 7, replica: 3
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -193.141631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.141631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.141631 (E_RNA)
where:
Base-Base interactions energy: -132.739
where: short stacking energy: -59.864
Base-Backbone interact. energy: -0.878
local terms energy: -59.525283
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -13.913
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: 8
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -71.187989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.187989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.187989 (E_RNA)
where:
Base-Base interactions energy: -28.531
where: short stacking energy: -28.531
Base-Backbone interact. energy: 0.489
local terms energy: -43.145934
where:
bonds (distance) C4'-P energy: -6.215
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -8.555
flat angles P-C4'-P energy: -8.357
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: 9, replica: 10
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -173.247900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.247900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.247900 (E_RNA)
where:
Base-Base interactions energy: -120.205
where: short stacking energy: -42.619
Base-Backbone interact. energy: -0.533
local terms energy: -52.509619
where:
bonds (distance) C4'-P energy: -7.520
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -12.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -69.832158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.832158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.832158 (E_RNA)
where:
Base-Base interactions energy: -26.923
where: short stacking energy: -20.002
Base-Backbone interact. energy: -0.269
local terms energy: -42.640007
where:
bonds (distance) C4'-P energy: -8.550
bonds (distance) P-C4' energy: -11.705
flat angles C4'-P-C4' energy: -8.603
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -3.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -217.809578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.809578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.809578 (E_RNA)
where:
Base-Base interactions energy: -145.518
where: short stacking energy: -64.566
Base-Backbone interact. energy: -0.003
local terms energy: -72.288008
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -18.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -204.790741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.790741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.790741 (E_RNA)
where:
Base-Base interactions energy: -141.703
where: short stacking energy: -66.010
Base-Backbone interact. energy: -0.041
local terms energy: -63.046182
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -5.069
tors. eta vs tors. theta energy: -16.653
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: 1
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -205.410298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.410298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.410298 (E_RNA)
where:
Base-Base interactions energy: -135.337
where: short stacking energy: -62.818
Base-Backbone interact. energy: -0.898
local terms energy: -69.174508
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -18.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -204.511717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.511717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.511717 (E_RNA)
where:
Base-Base interactions energy: -139.049
where: short stacking energy: -65.923
Base-Backbone interact. energy: -0.018
local terms energy: -65.444477
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -9.846
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -18.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -197.900481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.900481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.900481 (E_RNA)
where:
Base-Base interactions energy: -136.808
where: short stacking energy: -64.099
Base-Backbone interact. energy: -0.003
local terms energy: -61.088828
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -12.084
flat angles C4'-P-C4' energy: -10.452
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: -17.120
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: 2
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -185.443957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.443957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.443957 (E_RNA)
where:
Base-Base interactions energy: -126.755
where: short stacking energy: -53.160
Base-Backbone interact. energy: -0.239
local terms energy: -58.449625
where:
bonds (distance) C4'-P energy: -9.787
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -10.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -192.409011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.409011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.409011 (E_RNA)
where:
Base-Base interactions energy: -135.842
where: short stacking energy: -55.033
Base-Backbone interact. energy: -0.743
local terms energy: -55.824181
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -10.554
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -5.674
tors. eta vs tors. theta energy: -14.060
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: 8
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -102.171176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.171176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.171176 (E_RNA)
where:
Base-Base interactions energy: -53.022
where: short stacking energy: -28.251
Base-Backbone interact. energy: -0.003
local terms energy: -49.147019
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -9.820
flat angles P-C4'-P energy: -4.286
tors. eta vs tors. theta energy: -7.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -171.020806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.020806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.020806 (E_RNA)
where:
Base-Base interactions energy: -116.880
where: short stacking energy: -43.124
Base-Backbone interact. energy: -0.289
local terms energy: -53.851860
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -10.756
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -7.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -75.799805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.799805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.799805 (E_RNA)
where:
Base-Base interactions energy: -30.404
where: short stacking energy: -30.267
Base-Backbone interact. energy: 0.040
local terms energy: -45.436031
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -8.266
flat angles P-C4'-P energy: -7.083
tors. eta vs tors. theta energy: -3.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -212.862841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.862841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.862841 (E_RNA)
where:
Base-Base interactions energy: -146.753
where: short stacking energy: -60.705
Base-Backbone interact. energy: -0.751
local terms energy: -65.358854
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -13.949
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: 9
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -210.845961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.845961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.845961 (E_RNA)
where:
Base-Base interactions energy: -145.401
where: short stacking energy: -53.780
Base-Backbone interact. energy: -0.358
local terms energy: -65.086259
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -16.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -203.148564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.148564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.148564 (E_RNA)
where:
Base-Base interactions energy: -138.681
where: short stacking energy: -66.570
Base-Backbone interact. energy: -0.004
local terms energy: -64.464004
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -16.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -202.378586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.378586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.378586 (E_RNA)
where:
Base-Base interactions energy: -137.808
where: short stacking energy: -64.110
Base-Backbone interact. energy: 0.084
local terms energy: -64.653997
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -11.372
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -18.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -192.776019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.776019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.776019 (E_RNA)
where:
Base-Base interactions energy: -127.220
where: short stacking energy: -58.186
Base-Backbone interact. energy: -0.000
local terms energy: -65.555469
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -11.441
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -16.873
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: 3
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -193.916878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.916878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.916878 (E_RNA)
where:
Base-Base interactions energy: -135.683
where: short stacking energy: -55.170
Base-Backbone interact. energy: -0.249
local terms energy: -57.984905
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -7.919
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -4.837
tors. eta vs tors. theta energy: -18.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -181.235959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.235959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.235959 (E_RNA)
where:
Base-Base interactions energy: -130.140
where: short stacking energy: -52.937
Base-Backbone interact. energy: -0.119
local terms energy: -50.976750
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -10.311
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -9.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -170.187680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.187680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.187680 (E_RNA)
where:
Base-Base interactions energy: -113.870
where: short stacking energy: -44.896
Base-Backbone interact. energy: -1.835
local terms energy: -54.481949
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -9.908
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -9.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -79.201787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.201787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.201787 (E_RNA)
where:
Base-Base interactions energy: -32.686
where: short stacking energy: -32.686
Base-Backbone interact. energy: -0.050
local terms energy: -46.465921
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -6.748
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -4.135
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: 7
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -77.461027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.461027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.461027 (E_RNA)
where:
Base-Base interactions energy: -34.432
where: short stacking energy: -33.120
Base-Backbone interact. energy: -0.009
local terms energy: -43.020001
where:
bonds (distance) C4'-P energy: -10.016
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -7.740
flat angles P-C4'-P energy: -1.319
tors. eta vs tors. theta energy: -11.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -208.830633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.830633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.830633 (E_RNA)
where:
Base-Base interactions energy: -142.864
where: short stacking energy: -59.232
Base-Backbone interact. energy: -0.393
local terms energy: -65.573545
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -14.100
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: 6
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -211.888989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.888989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.888989 (E_RNA)
where:
Base-Base interactions energy: -143.886
where: short stacking energy: -64.949
Base-Backbone interact. energy: -0.313
local terms energy: -67.690655
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -19.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -207.999154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.999154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.999154 (E_RNA)
where:
Base-Base interactions energy: -135.701
where: short stacking energy: -67.500
Base-Backbone interact. energy: -0.292
local terms energy: -72.005826
where:
bonds (distance) C4'-P energy: -12.851
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -19.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -202.437333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.437333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.437333 (E_RNA)
where:
Base-Base interactions energy: -138.328
where: short stacking energy: -68.420
Base-Backbone interact. energy: 0.882
local terms energy: -64.991087
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -18.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -181.810651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.810651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.810651 (E_RNA)
where:
Base-Base interactions energy: -120.072
where: short stacking energy: -45.949
Base-Backbone interact. energy: -0.287
local terms energy: -61.451713
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -12.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -195.119593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.119593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.119593 (E_RNA)
where:
Base-Base interactions energy: -132.037
where: short stacking energy: -60.630
Base-Backbone interact. energy: -0.002
local terms energy: -63.080861
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -14.796
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: 7, replica: 10
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -179.679300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.679300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.679300 (E_RNA)
where:
Base-Base interactions energy: -117.424
where: short stacking energy: -51.270
Base-Backbone interact. energy: -0.128
local terms energy: -62.127489
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -13.965
flat angles C4'-P-C4' energy: -9.967
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -15.115
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: 8, replica: 2
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -183.736024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.736024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.736024 (E_RNA)
where:
Base-Base interactions energy: -132.594
where: short stacking energy: -58.961
Base-Backbone interact. energy: 1.017
local terms energy: -52.158296
where:
bonds (distance) C4'-P energy: -10.247
bonds (distance) P-C4' energy: -5.033
flat angles C4'-P-C4' energy: -10.215
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -16.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -81.704544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.704544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.704544 (E_RNA)
where:
Base-Base interactions energy: -39.970
where: short stacking energy: -30.906
Base-Backbone interact. energy: -0.015
local terms energy: -41.719929
where:
bonds (distance) C4'-P energy: -8.364
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -6.593
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -4.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -74.790755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.790755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.790755 (E_RNA)
where:
Base-Base interactions energy: -30.870
where: short stacking energy: -30.870
Base-Backbone interact. energy: -0.068
local terms energy: -43.852765
where:
bonds (distance) C4'-P energy: -7.372
bonds (distance) P-C4' energy: -11.802
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -5.109
tors. eta vs tors. theta energy: -7.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -205.456349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.456349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.456349 (E_RNA)
where:
Base-Base interactions energy: -138.769
where: short stacking energy: -65.695
Base-Backbone interact. energy: -0.000
local terms energy: -66.687455
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -17.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -211.210149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.210149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.210149 (E_RNA)
where:
Base-Base interactions energy: -142.530
where: short stacking energy: -68.177
Base-Backbone interact. energy: -1.255
local terms energy: -67.424948
where:
bonds (distance) C4'-P energy: -7.776
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -19.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -201.767328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.767328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.767328 (E_RNA)
where:
Base-Base interactions energy: -133.013
where: short stacking energy: -65.786
Base-Backbone interact. energy: -0.595
local terms energy: -68.159482
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -12.283
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -18.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -205.326269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.326269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.326269 (E_RNA)
where:
Base-Base interactions energy: -138.463
where: short stacking energy: -64.724
Base-Backbone interact. energy: -1.317
local terms energy: -65.545486
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -8.802
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: 1
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -203.142476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.142476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.142476 (E_RNA)
where:
Base-Base interactions energy: -144.056
where: short stacking energy: -55.146
Base-Backbone interact. energy: -0.693
local terms energy: -58.393927
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -5.889
tors. eta vs tors. theta energy: -13.140
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: 5
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -199.242719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.242719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.242719 (E_RNA)
where:
Base-Base interactions energy: -138.480
where: short stacking energy: -64.845
Base-Backbone interact. energy: -0.006
local terms energy: -60.756383
where:
bonds (distance) C4'-P energy: -12.590
bonds (distance) P-C4' energy: -9.010
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -6.353
tors. eta vs tors. theta energy: -18.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -190.375342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.375342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.375342 (E_RNA)
where:
Base-Base interactions energy: -127.613
where: short stacking energy: -57.746
Base-Backbone interact. energy: -1.845
local terms energy: -60.916920
where:
bonds (distance) C4'-P energy: -7.831
bonds (distance) P-C4' energy: -12.115
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -18.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -182.153094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.153094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.153094 (E_RNA)
where:
Base-Base interactions energy: -123.912
where: short stacking energy: -53.231
Base-Backbone interact. energy: -0.449
local terms energy: -57.792708
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -9.479
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -12.911
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: 9, replica: 7
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -69.957332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.957332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.957332 (E_RNA)
where:
Base-Base interactions energy: -33.898
where: short stacking energy: -24.561
Base-Backbone interact. energy: -0.099
local terms energy: -35.960038
where:
bonds (distance) C4'-P energy: -8.323
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -7.963
flat angles P-C4'-P energy: -3.074
tors. eta vs tors. theta energy: -2.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -66.823014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.823014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.823014 (E_RNA)
where:
Base-Base interactions energy: -32.578
where: short stacking energy: -30.623
Base-Backbone interact. energy: 0.608
local terms energy: -34.853045
where:
bonds (distance) C4'-P energy: -7.674
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -1.562
flat angles P-C4'-P energy: -6.220
tors. eta vs tors. theta energy: -6.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -212.652295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.652295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.652295 (E_RNA)
where:
Base-Base interactions energy: -146.586
where: short stacking energy: -69.059
Base-Backbone interact. energy: -0.577
local terms energy: -65.489631
where:
bonds (distance) C4'-P energy: -10.019
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -17.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -207.041344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.041344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.041344 (E_RNA)
where:
Base-Base interactions energy: -137.704
where: short stacking energy: -65.228
Base-Backbone interact. energy: -0.001
local terms energy: -69.336937
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -16.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -205.346351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.346351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.346351 (E_RNA)
where:
Base-Base interactions energy: -143.875
where: short stacking energy: -59.525
Base-Backbone interact. energy: -0.397
local terms energy: -61.074516
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -14.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -195.821859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.821859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.821859 (E_RNA)
where:
Base-Base interactions energy: -132.148
where: short stacking energy: -55.147
Base-Backbone interact. energy: -0.106
local terms energy: -63.568033
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -14.684
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: 5
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -184.388979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.388979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.388979 (E_RNA)
where:
Base-Base interactions energy: -126.621
where: short stacking energy: -53.291
Base-Backbone interact. energy: 0.030
local terms energy: -57.797574
where:
bonds (distance) C4'-P energy: -8.579
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -10.957
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -16.076
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: 1
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -195.032859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.032859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.032859 (E_RNA)
where:
Base-Base interactions energy: -140.478
where: short stacking energy: -63.108
Base-Backbone interact. energy: -0.004
local terms energy: -54.551025
where:
bonds (distance) C4'-P energy: -7.215
bonds (distance) P-C4' energy: -9.688
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -15.490
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: 7, replica: 2
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -183.280132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.280132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.280132 (E_RNA)
where:
Base-Base interactions energy: -125.834
where: short stacking energy: -56.683
Base-Backbone interact. energy: -0.611
local terms energy: -56.835111
where:
bonds (distance) C4'-P energy: -8.413
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -12.373
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -12.489
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: 10
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -168.246076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.246076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.246076 (E_RNA)
where:
Base-Base interactions energy: -116.963
where: short stacking energy: -41.125
Base-Backbone interact. energy: -0.116
local terms energy: -51.167783
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -11.839
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -7.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -70.431630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.431630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.431630 (E_RNA)
where:
Base-Base interactions energy: -33.092
where: short stacking energy: -31.493
Base-Backbone interact. energy: -0.224
local terms energy: -37.116358
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -8.872
flat angles P-C4'-P energy: -2.941
tors. eta vs tors. theta energy: -2.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -76.820305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.820305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.820305 (E_RNA)
where:
Base-Base interactions energy: -34.555
where: short stacking energy: -34.202
Base-Backbone interact. energy: -0.109
local terms energy: -42.155818
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -9.945
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -0.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -208.707099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.707099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.707099 (E_RNA)
where:
Base-Base interactions energy: -140.653
where: short stacking energy: -67.264
Base-Backbone interact. energy: -0.001
local terms energy: -68.053275
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -18.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -204.723466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.723466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.723466 (E_RNA)
where:
Base-Base interactions energy: -138.992
where: short stacking energy: -59.435
Base-Backbone interact. energy: -0.709
local terms energy: -65.022675
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -14.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -208.336101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.336101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.336101 (E_RNA)
where:
Base-Base interactions energy: -141.370
where: short stacking energy: -58.927
Base-Backbone interact. energy: -0.000
local terms energy: -66.965546
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -13.054
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: 4, replica: 5
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -200.005808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.005808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.005808 (E_RNA)
where:
Base-Base interactions energy: -131.395
where: short stacking energy: -63.001
Base-Backbone interact. energy: -0.066
local terms energy: -68.545030
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -12.463
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -11.720
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: 5, replica: 6
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -199.956365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.956365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.956365 (E_RNA)
where:
Base-Base interactions energy: -143.499
where: short stacking energy: -54.939
Base-Backbone interact. energy: -0.087
local terms energy: -56.370428
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: -11.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -186.531368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.531368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.531368 (E_RNA)
where:
Base-Base interactions energy: -127.929
where: short stacking energy: -58.157
Base-Backbone interact. energy: -0.078
local terms energy: -58.523910
where:
bonds (distance) C4'-P energy: -9.516
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -10.082
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -15.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -190.853447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.853447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.853447 (E_RNA)
where:
Base-Base interactions energy: -129.338
where: short stacking energy: -62.650
Base-Backbone interact. energy: 1.532
local terms energy: -63.047903
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -10.879
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -18.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -171.310469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.310469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.310469 (E_RNA)
where:
Base-Base interactions energy: -117.270
where: short stacking energy: -47.872
Base-Backbone interact. energy: -0.091
local terms energy: -53.949728
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -10.742
flat angles P-C4'-P energy: -3.002
tors. eta vs tors. theta energy: -13.401
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: 8
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -75.802689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.802689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.802689 (E_RNA)
where:
Base-Base interactions energy: -36.482
where: short stacking energy: -29.417
Base-Backbone interact. energy: -0.186
local terms energy: -39.133964
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -4.923
flat angles P-C4'-P energy: -3.733
tors. eta vs tors. theta energy: -1.499
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: 10, replica: 7
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -69.770420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.770420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.770420 (E_RNA)
where:
Base-Base interactions energy: -26.644
where: short stacking energy: -23.686
Base-Backbone interact. energy: -0.028
local terms energy: -43.097826
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -14.189
flat angles C4'-P-C4' energy: -5.427
flat angles P-C4'-P energy: -6.105
tors. eta vs tors. theta energy: -3.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -214.979559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.979559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.979559 (E_RNA)
where:
Base-Base interactions energy: -145.475
where: short stacking energy: -69.306
Base-Backbone interact. energy: -0.545
local terms energy: -68.960181
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -7.474
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: 2, replica: 3
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -208.231380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.231380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.231380 (E_RNA)
where:
Base-Base interactions energy: -139.766
where: short stacking energy: -56.547
Base-Backbone interact. energy: -0.390
local terms energy: -68.076087
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -12.600
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: 9
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -204.367702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.367702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.367702 (E_RNA)
where:
Base-Base interactions energy: -139.791
where: short stacking energy: -59.763
Base-Backbone interact. energy: -0.040
local terms energy: -64.536647
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -15.274
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: 5
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -195.224152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.224152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.224152 (E_RNA)
where:
Base-Base interactions energy: -132.261
where: short stacking energy: -63.142
Base-Backbone interact. energy: -0.006
local terms energy: -62.957262
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -11.451
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -17.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -196.021279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.021279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.021279 (E_RNA)
where:
Base-Base interactions energy: -132.565
where: short stacking energy: -54.856
Base-Backbone interact. energy: -0.432
local terms energy: -63.024088
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -5.974
tors. eta vs tors. theta energy: -15.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -193.179792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.179792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.179792 (E_RNA)
where:
Base-Base interactions energy: -129.641
where: short stacking energy: -56.859
Base-Backbone interact. energy: 0.319
local terms energy: -63.857610
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -14.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -175.784542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.784542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.784542 (E_RNA)
where:
Base-Base interactions energy: -124.282
where: short stacking energy: -52.052
Base-Backbone interact. energy: -0.251
local terms energy: -51.251375
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -5.794
tors. eta vs tors. theta energy: -12.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -191.566550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.566550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.566550 (E_RNA)
where:
Base-Base interactions energy: -124.192
where: short stacking energy: -55.007
Base-Backbone interact. energy: -0.019
local terms energy: -67.355290
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -14.752
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: 8
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -84.064408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.064408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.064408 (E_RNA)
where:
Base-Base interactions energy: -36.433
where: short stacking energy: -33.255
Base-Backbone interact. energy: -0.559
local terms energy: -47.072430
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -8.409
flat angles C4'-P-C4' energy: -10.262
flat angles P-C4'-P energy: -5.990
tors. eta vs tors. theta energy: -9.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -72.396876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.396876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.396876 (E_RNA)
where:
Base-Base interactions energy: -22.027
where: short stacking energy: -19.206
Base-Backbone interact. energy: -0.001
local terms energy: -50.368988
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -6.247
tors. eta vs tors. theta energy: -4.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -214.596014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.596014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.596014 (E_RNA)
where:
Base-Base interactions energy: -147.554
where: short stacking energy: -70.081
Base-Backbone interact. energy: -0.713
local terms energy: -66.328856
where:
bonds (distance) C4'-P energy: -8.133
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -20.383
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: 9
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -210.143001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.143001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.143001 (E_RNA)
where:
Base-Base interactions energy: -142.638
where: short stacking energy: -66.030
Base-Backbone interact. energy: -0.042
local terms energy: -67.463099
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -15.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -200.565447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.565447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.565447 (E_RNA)
where:
Base-Base interactions energy: -135.249
where: short stacking energy: -59.951
Base-Backbone interact. energy: -0.042
local terms energy: -65.273870
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -12.209
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -15.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -201.676748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.676748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.676748 (E_RNA)
where:
Base-Base interactions energy: -142.621
where: short stacking energy: -65.135
Base-Backbone interact. energy: -0.005
local terms energy: -59.050071
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -10.458
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -13.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -193.853044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.853044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.853044 (E_RNA)
where:
Base-Base interactions energy: -136.466
where: short stacking energy: -59.543
Base-Backbone interact. energy: -0.102
local terms energy: -57.285053
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -9.103
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -14.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -197.338363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.338363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.338363 (E_RNA)
where:
Base-Base interactions energy: -134.312
where: short stacking energy: -61.782
Base-Backbone interact. energy: -0.453
local terms energy: -62.573593
where:
bonds (distance) C4'-P energy: -9.780
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -17.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -180.050500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.050500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.050500 (E_RNA)
where:
Base-Base interactions energy: -120.423
where: short stacking energy: -51.473
Base-Backbone interact. energy: -0.041
local terms energy: -59.587011
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -11.023
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: 10
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -174.255936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.255936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.255936 (E_RNA)
where:
Base-Base interactions energy: -120.632
where: short stacking energy: -51.628
Base-Backbone interact. energy: -0.059
local terms energy: -53.564577
where:
bonds (distance) C4'-P energy: -10.019
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -7.084
tors. eta vs tors. theta energy: -9.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -74.642538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.642538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.642538 (E_RNA)
where:
Base-Base interactions energy: -25.691
where: short stacking energy: -13.130
Base-Backbone interact. energy: -0.173
local terms energy: -48.777973
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: 1.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -67.950928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.950928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.950928 (E_RNA)
where:
Base-Base interactions energy: -27.336
where: short stacking energy: -23.078
Base-Backbone interact. energy: -0.153
local terms energy: -40.461849
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -11.847
flat angles C4'-P-C4' energy: -10.150
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: -0.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -213.604157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.604157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.604157 (E_RNA)
where:
Base-Base interactions energy: -142.664
where: short stacking energy: -70.100
Base-Backbone interact. energy: -0.001
local terms energy: -70.939393
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -18.435
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: 9
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -204.812521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.812521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.812521 (E_RNA)
where:
Base-Base interactions energy: -141.614
where: short stacking energy: -64.092
Base-Backbone interact. energy: -0.000
local terms energy: -63.198293
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -15.472
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: 74
Temperature: 1.000000
Total energy: -203.693302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.693302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.693302 (E_RNA)
where:
Base-Base interactions energy: -135.739
where: short stacking energy: -65.714
Base-Backbone interact. energy: -0.064
local terms energy: -67.890593
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -11.886
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -17.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -205.063699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.063699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.063699 (E_RNA)
where:
Base-Base interactions energy: -140.259
where: short stacking energy: -70.041
Base-Backbone interact. energy: -0.007
local terms energy: -64.797341
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: -17.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -196.422515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.422515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.422515 (E_RNA)
where:
Base-Base interactions energy: -131.443
where: short stacking energy: -64.449
Base-Backbone interact. energy: -0.007
local terms energy: -64.972722
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -16.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -198.382253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.382253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.382253 (E_RNA)
where:
Base-Base interactions energy: -132.074
where: short stacking energy: -59.946
Base-Backbone interact. energy: -0.487
local terms energy: -65.821636
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -17.349
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: 7, replica: 1
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -190.885831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.885831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.885831 (E_RNA)
where:
Base-Base interactions energy: -129.660
where: short stacking energy: -59.443
Base-Backbone interact. energy: -0.014
local terms energy: -61.211314
where:
bonds (distance) C4'-P energy: -7.776
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -15.993
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: 10
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -184.206485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.206485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.206485 (E_RNA)
where:
Base-Base interactions energy: -125.797
where: short stacking energy: -55.359
Base-Backbone interact. energy: 2.008
local terms energy: -60.417851
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -14.342
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: 7
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -72.406046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.406046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.406046 (E_RNA)
where:
Base-Base interactions energy: -26.748
where: short stacking energy: -19.218
Base-Backbone interact. energy: -0.802
local terms energy: -44.856877
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -5.106
tors. eta vs tors. theta energy: -1.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -72.957352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.957352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.957352 (E_RNA)
where:
Base-Base interactions energy: -27.545
where: short stacking energy: -27.545
Base-Backbone interact. energy: -0.188
local terms energy: -45.224703
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -2.099
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -8.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -211.437540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.437540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.437540 (E_RNA)
where:
Base-Base interactions energy: -143.656
where: short stacking energy: -60.315
Base-Backbone interact. energy: -0.452
local terms energy: -67.329535
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -18.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -202.844173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.844173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.844173 (E_RNA)
where:
Base-Base interactions energy: -140.467
where: short stacking energy: -56.547
Base-Backbone interact. energy: -0.030
local terms energy: -62.347578
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -15.480
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: 3, replica: 5
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -202.912180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.912180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.912180 (E_RNA)
where:
Base-Base interactions energy: -138.663
where: short stacking energy: -61.969
Base-Backbone interact. energy: -0.421
local terms energy: -63.827855
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -10.285
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -17.234
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: 75
Temperature: 1.050000
Total energy: -204.230600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.230600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.230600 (E_RNA)
where:
Base-Base interactions energy: -134.093
where: short stacking energy: -58.647
Base-Backbone interact. energy: -1.586
local terms energy: -68.552057
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -10.652
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -18.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -192.180666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.180666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.180666 (E_RNA)
where:
Base-Base interactions energy: -136.898
where: short stacking energy: -57.086
Base-Backbone interact. energy: -0.214
local terms energy: -55.068972
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -11.583
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: -13.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -184.876602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.876602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.876602 (E_RNA)
where:
Base-Base interactions energy: -121.753
where: short stacking energy: -52.070
Base-Backbone interact. energy: -0.040
local terms energy: -63.084098
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -10.930
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -14.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -194.247985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.247985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.247985 (E_RNA)
where:
Base-Base interactions energy: -133.562
where: short stacking energy: -59.883
Base-Backbone interact. energy: -0.182
local terms energy: -60.503333
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -9.206
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -15.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -184.483118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.483118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.483118 (E_RNA)
where:
Base-Base interactions energy: -126.617
where: short stacking energy: -51.734
Base-Backbone interact. energy: -0.575
local terms energy: -57.290522
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -10.800
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -12.143
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: 7
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -79.416958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.416958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.416958 (E_RNA)
where:
Base-Base interactions energy: -36.357
where: short stacking energy: -36.357
Base-Backbone interact. energy: -0.209
local terms energy: -42.851124
where:
bonds (distance) C4'-P energy: -9.602
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -8.924
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -4.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -75.958289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.958289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.958289 (E_RNA)
where:
Base-Base interactions energy: -28.500
where: short stacking energy: -28.500
Base-Backbone interact. energy: -1.999
local terms energy: -45.459658
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: -2.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -211.758260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.758260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.758260 (E_RNA)
where:
Base-Base interactions energy: -143.138
where: short stacking energy: -63.952
Base-Backbone interact. energy: -0.069
local terms energy: -68.551808
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -18.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -209.317916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.317916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.317916 (E_RNA)
where:
Base-Base interactions energy: -142.897
where: short stacking energy: -70.101
Base-Backbone interact. energy: -0.032
local terms energy: -66.388299
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -17.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -201.934711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.934711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.934711 (E_RNA)
where:
Base-Base interactions energy: -134.406
where: short stacking energy: -62.885
Base-Backbone interact. energy: -0.615
local terms energy: -66.913478
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -16.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -202.765811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.765811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.765811 (E_RNA)
where:
Base-Base interactions energy: -141.530
where: short stacking energy: -60.411
Base-Backbone interact. energy: -0.559
local terms energy: -60.676721
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -9.440
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -15.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -198.832768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.832768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.832768 (E_RNA)
where:
Base-Base interactions energy: -133.485
where: short stacking energy: -64.178
Base-Backbone interact. energy: -0.301
local terms energy: -65.047455
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -19.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -196.733886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.733886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.733886 (E_RNA)
where:
Base-Base interactions energy: -130.283
where: short stacking energy: -60.691
Base-Backbone interact. energy: -0.001
local terms energy: -66.450077
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -6.776
tors. eta vs tors. theta energy: -19.439
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: 7, replica: 10
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -186.240778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.240778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.240778 (E_RNA)
where:
Base-Base interactions energy: -130.651
where: short stacking energy: -51.601
Base-Backbone interact. energy: -0.003
local terms energy: -55.586938
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -9.507
flat angles P-C4'-P energy: -6.640
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: 2
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -184.743556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.743556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.743556 (E_RNA)
where:
Base-Base interactions energy: -130.068
where: short stacking energy: -47.734
Base-Backbone interact. energy: -0.806
local terms energy: -53.869686
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -10.878
flat angles C4'-P-C4' energy: -10.605
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -11.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -77.547591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.547591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.547591 (E_RNA)
where:
Base-Base interactions energy: -35.618
where: short stacking energy: -16.667
Base-Backbone interact. energy: 1.527
local terms energy: -43.457071
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -11.262
flat angles C4'-P-C4' energy: -5.721
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -1.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -90.478262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.478262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.478262 (E_RNA)
where:
Base-Base interactions energy: -47.998
where: short stacking energy: -26.648
Base-Backbone interact. energy: -0.122
local terms energy: -42.358286
where:
bonds (distance) C4'-P energy: -11.004
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -9.302
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -0.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -208.670776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.670776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.670776 (E_RNA)
where:
Base-Base interactions energy: -141.881
where: short stacking energy: -69.918
Base-Backbone interact. energy: -0.037
local terms energy: -66.753625
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -11.136
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -18.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -209.376572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.376572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.376572 (E_RNA)
where:
Base-Base interactions energy: -143.753
where: short stacking energy: -59.641
Base-Backbone interact. energy: -1.506
local terms energy: -64.116790
where:
bonds (distance) C4'-P energy: -9.893
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -15.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -202.780454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.780454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.780454 (E_RNA)
where:
Base-Base interactions energy: -136.726
where: short stacking energy: -64.824
Base-Backbone interact. energy: -0.013
local terms energy: -66.041091
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -6.792
tors. eta vs tors. theta energy: -19.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -200.730162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.730162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.730162 (E_RNA)
where:
Base-Base interactions energy: -139.997
where: short stacking energy: -60.626
Base-Backbone interact. energy: -0.735
local terms energy: -59.998299
where:
bonds (distance) C4'-P energy: -6.644
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -16.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -197.489261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.489261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.489261 (E_RNA)
where:
Base-Base interactions energy: -132.581
where: short stacking energy: -54.331
Base-Backbone interact. energy: -0.009
local terms energy: -64.899245
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -17.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -199.853967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.853967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.853967 (E_RNA)
where:
Base-Base interactions energy: -136.794
where: short stacking energy: -63.524
Base-Backbone interact. energy: -0.412
local terms energy: -62.647792
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -6.232
tors. eta vs tors. theta energy: -16.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -190.404188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.404188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.404188 (E_RNA)
where:
Base-Base interactions energy: -131.350
where: short stacking energy: -49.473
Base-Backbone interact. energy: -0.131
local terms energy: -58.922745
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -10.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -187.130562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.130562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.130562 (E_RNA)
where:
Base-Base interactions energy: -130.143
where: short stacking energy: -60.716
Base-Backbone interact. energy: -0.282
local terms energy: -56.705757
where:
bonds (distance) C4'-P energy: -8.998
bonds (distance) P-C4' energy: -11.231
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -4.949
tors. eta vs tors. theta energy: -16.072
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: 8
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -88.847125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.847125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.847125 (E_RNA)
where:
Base-Base interactions energy: -49.330
where: short stacking energy: -31.206
Base-Backbone interact. energy: -0.221
local terms energy: -39.295406
where:
bonds (distance) C4'-P energy: -11.235
bonds (distance) P-C4' energy: -12.833
flat angles C4'-P-C4' energy: -10.915
flat angles P-C4'-P energy: 1.062
tors. eta vs tors. theta energy: -5.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -73.160446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.160446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.160446 (E_RNA)
where:
Base-Base interactions energy: -31.305
where: short stacking energy: -24.789
Base-Backbone interact. energy: -0.004
local terms energy: -41.852040
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -8.716
flat angles C4'-P-C4' energy: -9.249
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -2.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -214.262465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.262465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.262465 (E_RNA)
where:
Base-Base interactions energy: -147.314
where: short stacking energy: -70.708
Base-Backbone interact. energy: -0.000
local terms energy: -66.948718
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -8.921
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: 2, replica: 4
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -209.871424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.871424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.871424 (E_RNA)
where:
Base-Base interactions energy: -144.070
where: short stacking energy: -58.093
Base-Backbone interact. energy: -0.624
local terms energy: -65.177791
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -15.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -195.212499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.212499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.212499 (E_RNA)
where:
Base-Base interactions energy: -134.461
where: short stacking energy: -58.986
Base-Backbone interact. energy: -0.255
local terms energy: -60.496334
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -9.582
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -13.867
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: 9
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -204.488645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.488645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.488645 (E_RNA)
where:
Base-Base interactions energy: -137.578
where: short stacking energy: -63.010
Base-Backbone interact. energy: -0.582
local terms energy: -66.328361
where:
bonds (distance) C4'-P energy: -8.530
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -20.577
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: 78
Temperature: 1.100000
Total energy: -202.440139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.440139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.440139 (E_RNA)
where:
Base-Base interactions energy: -140.987
where: short stacking energy: -59.622
Base-Backbone interact. energy: -0.054
local terms energy: -61.398765
where:
bonds (distance) C4'-P energy: -10.899
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -17.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -194.030404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.030404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.030404 (E_RNA)
where:
Base-Base interactions energy: -129.329
where: short stacking energy: -58.604
Base-Backbone interact. energy: -0.752
local terms energy: -63.949157
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -17.612
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: 10
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -196.167179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.167179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.167179 (E_RNA)
where:
Base-Base interactions energy: -134.603
where: short stacking energy: -62.361
Base-Backbone interact. energy: -0.341
local terms energy: -61.223624
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -12.079
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -6.565
tors. eta vs tors. theta energy: -18.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -178.298706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.298706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.298706 (E_RNA)
where:
Base-Base interactions energy: -123.471
where: short stacking energy: -54.907
Base-Backbone interact. energy: 0.062
local terms energy: -54.889677
where:
bonds (distance) C4'-P energy: -8.621
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -11.271
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: -14.046
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: 7
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -79.796028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.796028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.796028 (E_RNA)
where:
Base-Base interactions energy: -43.783
where: short stacking energy: -24.548
Base-Backbone interact. energy: -0.018
local terms energy: -35.994884
where:
bonds (distance) C4'-P energy: -9.416
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -10.007
flat angles P-C4'-P energy: -4.097
tors. eta vs tors. theta energy: 0.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -69.965854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.965854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.965854 (E_RNA)
where:
Base-Base interactions energy: -28.213
where: short stacking energy: -23.252
Base-Backbone interact. energy: 0.099
local terms energy: -41.851723
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -6.542
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -0.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -216.806394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.806394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.806394 (E_RNA)
where:
Base-Base interactions energy: -144.021
where: short stacking energy: -58.498
Base-Backbone interact. energy: -0.001
local terms energy: -72.783855
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -16.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -210.820970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.820970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.820970 (E_RNA)
where:
Base-Base interactions energy: -145.407
where: short stacking energy: -68.443
Base-Backbone interact. energy: -0.038
local terms energy: -65.375498
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -16.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -213.188185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.188185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.188185 (E_RNA)
where:
Base-Base interactions energy: -143.658
where: short stacking energy: -66.259
Base-Backbone interact. energy: -0.001
local terms energy: -69.529529
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -10.363
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: 4, replica: 3
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -203.088642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.088642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.088642 (E_RNA)
where:
Base-Base interactions energy: -136.389
where: short stacking energy: -65.698
Base-Backbone interact. energy: -0.211
local terms energy: -66.487914
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -8.735
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -18.357
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: 5, replica: 9
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -204.508833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.508833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.508833 (E_RNA)
where:
Base-Base interactions energy: -140.823
where: short stacking energy: -64.827
Base-Backbone interact. energy: -0.926
local terms energy: -62.759890
where:
bonds (distance) C4'-P energy: -10.239
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -17.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -186.271413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.271413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.271413 (E_RNA)
where:
Base-Base interactions energy: -127.626
where: short stacking energy: -50.507
Base-Backbone interact. energy: 0.005
local terms energy: -58.650864
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -7.065
tors. eta vs tors. theta energy: -9.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -181.279210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.279210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.279210 (E_RNA)
where:
Base-Base interactions energy: -133.620
where: short stacking energy: -52.474
Base-Backbone interact. energy: -0.130
local terms energy: -47.529296
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -4.601
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -10.424
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: 8, replica: 2
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -147.636282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.636282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.636282 (E_RNA)
where:
Base-Base interactions energy: -92.311
where: short stacking energy: -46.347
Base-Backbone interact. energy: -0.084
local terms energy: -55.241038
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -9.545
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -11.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -84.109092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.109092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.109092 (E_RNA)
where:
Base-Base interactions energy: -35.549
where: short stacking energy: -29.330
Base-Backbone interact. energy: 0.388
local terms energy: -48.948828
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -11.494
flat angles C4'-P-C4' energy: -10.167
flat angles P-C4'-P energy: -3.938
tors. eta vs tors. theta energy: -9.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -75.541394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.541394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.541394 (E_RNA)
where:
Base-Base interactions energy: -28.703
where: short stacking energy: -28.703
Base-Backbone interact. energy: -0.448
local terms energy: -46.390994
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -9.452
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -6.387
tors. eta vs tors. theta energy: -5.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -215.940355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.940355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.940355 (E_RNA)
where:
Base-Base interactions energy: -144.886
where: short stacking energy: -67.741
Base-Backbone interact. energy: -0.051
local terms energy: -71.003162
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -17.504
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: 5
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -211.018407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.018407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.018407 (E_RNA)
where:
Base-Base interactions energy: -144.841
where: short stacking energy: -62.376
Base-Backbone interact. energy: -0.000
local terms energy: -66.176791
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -6.827
tors. eta vs tors. theta energy: -16.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -207.132792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.132792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.132792 (E_RNA)
where:
Base-Base interactions energy: -140.391
where: short stacking energy: -65.054
Base-Backbone interact. energy: -0.402
local terms energy: -66.340321
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -18.278
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: 4
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -200.244238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.244238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.244238 (E_RNA)
where:
Base-Base interactions energy: -133.615
where: short stacking energy: -61.409
Base-Backbone interact. energy: -0.397
local terms energy: -66.231862
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -16.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -201.647743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.647743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.647743 (E_RNA)
where:
Base-Base interactions energy: -140.864
where: short stacking energy: -61.807
Base-Backbone interact. energy: -1.443
local terms energy: -59.340102
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -9.359
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -16.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -198.018063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.018063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.018063 (E_RNA)
where:
Base-Base interactions energy: -134.761
where: short stacking energy: -62.478
Base-Backbone interact. energy: -0.001
local terms energy: -63.256452
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -17.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -187.937581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.937581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.937581 (E_RNA)
where:
Base-Base interactions energy: -134.964
where: short stacking energy: -54.776
Base-Backbone interact. energy: 0.437
local terms energy: -53.410788
where:
bonds (distance) C4'-P energy: -8.455
bonds (distance) P-C4' energy: -12.916
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -12.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -172.439616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.439616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.439616 (E_RNA)
where:
Base-Base interactions energy: -117.254
where: short stacking energy: -49.221
Base-Backbone interact. energy: -0.058
local terms energy: -55.127932
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -10.045
flat angles P-C4'-P energy: -5.196
tors. eta vs tors. theta energy: -12.544
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: 9, replica: 8
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -64.757797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.757797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.757797 (E_RNA)
where:
Base-Base interactions energy: -19.500
where: short stacking energy: -19.500
Base-Backbone interact. energy: -0.092
local terms energy: -45.165098
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -5.824
flat angles P-C4'-P energy: -8.306
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: 10, replica: 7
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -66.561224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.561224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.561224 (E_RNA)
where:
Base-Base interactions energy: -27.503
where: short stacking energy: -27.503
Base-Backbone interact. energy: -0.067
local terms energy: -38.990952
where:
bonds (distance) C4'-P energy: -8.940
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -9.651
flat angles P-C4'-P energy: -3.587
tors. eta vs tors. theta energy: -3.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -215.197331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.197331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.197331 (E_RNA)
where:
Base-Base interactions energy: -146.947
where: short stacking energy: -59.270
Base-Backbone interact. energy: -0.167
local terms energy: -68.083532
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -5.819
tors. eta vs tors. theta energy: -17.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -217.535672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.535672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.535672 (E_RNA)
where:
Base-Base interactions energy: -146.771
where: short stacking energy: -68.541
Base-Backbone interact. energy: -0.000
local terms energy: -70.764364
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -15.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -208.538478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.538478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.538478 (E_RNA)
where:
Base-Base interactions energy: -146.576
where: short stacking energy: -57.620
Base-Backbone interact. energy: -0.222
local terms energy: -61.740638
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -6.060
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: 4, replica: 4
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -204.147214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.147214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.147214 (E_RNA)
where:
Base-Base interactions energy: -135.241
where: short stacking energy: -63.339
Base-Backbone interact. energy: -0.262
local terms energy: -68.644525
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -18.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -201.965806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.965806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.965806 (E_RNA)
where:
Base-Base interactions energy: -133.920
where: short stacking energy: -63.924
Base-Backbone interact. energy: -0.002
local terms energy: -68.044232
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -20.217
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: 6
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -189.530858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.530858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.530858 (E_RNA)
where:
Base-Base interactions energy: -127.417
where: short stacking energy: -58.068
Base-Backbone interact. energy: -0.092
local terms energy: -62.022336
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -9.273
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -16.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -203.492733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.492733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.492733 (E_RNA)
where:
Base-Base interactions energy: -140.002
where: short stacking energy: -67.632
Base-Backbone interact. energy: -0.001
local terms energy: -63.489034
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -17.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -176.140762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.140762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.140762 (E_RNA)
where:
Base-Base interactions energy: -124.087
where: short stacking energy: -60.080
Base-Backbone interact. energy: -0.686
local terms energy: -51.367736
where:
bonds (distance) C4'-P energy: -9.251
bonds (distance) P-C4' energy: -10.861
flat angles C4'-P-C4' energy: -10.054
flat angles P-C4'-P energy: -5.778
tors. eta vs tors. theta energy: -15.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -72.222446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.222446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.222446 (E_RNA)
where:
Base-Base interactions energy: -29.526
where: short stacking energy: -29.526
Base-Backbone interact. energy: -0.078
local terms energy: -42.618413
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -8.233
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -4.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -81.301082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.301082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.301082 (E_RNA)
where:
Base-Base interactions energy: -32.027
where: short stacking energy: -28.102
Base-Backbone interact. energy: -0.098
local terms energy: -49.175599
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -11.683
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -0.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -216.089350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.089350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.089350 (E_RNA)
where:
Base-Base interactions energy: -146.476
where: short stacking energy: -66.961
Base-Backbone interact. energy: -1.476
local terms energy: -68.136674
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -17.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -212.645525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.645525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.645525 (E_RNA)
where:
Base-Base interactions energy: -141.183
where: short stacking energy: -61.092
Base-Backbone interact. energy: -2.677
local terms energy: -68.785321
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -17.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -207.531705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.531705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.531705 (E_RNA)
where:
Base-Base interactions energy: -138.222
where: short stacking energy: -64.392
Base-Backbone interact. energy: -0.412
local terms energy: -68.897734
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -18.224
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: 4
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -196.097714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.097714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.097714 (E_RNA)
where:
Base-Base interactions energy: -132.995
where: short stacking energy: -64.902
Base-Backbone interact. energy: 0.437
local terms energy: -63.539933
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -16.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -185.720094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.720094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.720094 (E_RNA)
where:
Base-Base interactions energy: -124.557
where: short stacking energy: -54.050
Base-Backbone interact. energy: -0.241
local terms energy: -60.921227
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -11.675
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -13.300
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: 10
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -191.961535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.961535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.961535 (E_RNA)
where:
Base-Base interactions energy: -134.148
where: short stacking energy: -59.909
Base-Backbone interact. energy: -0.005
local terms energy: -57.809106
where:
bonds (distance) C4'-P energy: -8.747
bonds (distance) P-C4' energy: -7.912
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -6.814
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: 7, replica: 2
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -184.789799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.789799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.789799 (E_RNA)
where:
Base-Base interactions energy: -129.282
where: short stacking energy: -55.819
Base-Backbone interact. energy: -0.288
local terms energy: -55.219945
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -4.927
tors. eta vs tors. theta energy: -12.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -183.070931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.070931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.070931 (E_RNA)
where:
Base-Base interactions energy: -122.838
where: short stacking energy: -52.134
Base-Backbone interact. energy: -0.100
local terms energy: -60.132770
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -12.296
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -12.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -71.306604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.306604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.306604 (E_RNA)
where:
Base-Base interactions energy: -27.329
where: short stacking energy: -23.265
Base-Backbone interact. energy: 0.203
local terms energy: -44.180373
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -10.757
flat angles P-C4'-P energy: -5.816
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: 10, replica: 8
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -62.375112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.375112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.375112 (E_RNA)
where:
Base-Base interactions energy: -18.900
where: short stacking energy: -18.900
Base-Backbone interact. energy: -0.150
local terms energy: -43.325568
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -9.739
flat angles P-C4'-P energy: -5.985
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: 3
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -212.346431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.346431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.346431 (E_RNA)
where:
Base-Base interactions energy: -145.391
where: short stacking energy: -68.450
Base-Backbone interact. energy: -0.730
local terms energy: -66.225073
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -16.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -211.198451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.198451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.198451 (E_RNA)
where:
Base-Base interactions energy: -140.604
where: short stacking energy: -64.897
Base-Backbone interact. energy: -0.283
local terms energy: -70.310727
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -19.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -205.504538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.504538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.504538 (E_RNA)
where:
Base-Base interactions energy: -141.987
where: short stacking energy: -58.224
Base-Backbone interact. energy: -0.001
local terms energy: -63.516640
where:
bonds (distance) C4'-P energy: -9.780
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -15.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -200.848745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.848745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.848745 (E_RNA)
where:
Base-Base interactions energy: -139.106
where: short stacking energy: -62.694
Base-Backbone interact. energy: -0.527
local terms energy: -61.216632
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -10.687
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -15.704
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: 6
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -196.882751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.882751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.882751 (E_RNA)
where:
Base-Base interactions energy: -132.218
where: short stacking energy: -59.166
Base-Backbone interact. energy: -0.000
local terms energy: -64.664303
where:
bonds (distance) C4'-P energy: -10.228
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -16.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -186.137183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.137183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.137183 (E_RNA)
where:
Base-Base interactions energy: -131.052
where: short stacking energy: -51.713
Base-Backbone interact. energy: -0.522
local terms energy: -54.563771
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -8.219
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -10.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -192.849137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.849137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.849137 (E_RNA)
where:
Base-Base interactions energy: -128.620
where: short stacking energy: -51.201
Base-Backbone interact. energy: -0.658
local terms energy: -63.571160
where:
bonds (distance) C4'-P energy: -9.653
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -12.255
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -17.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -178.210280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.210280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.210280 (E_RNA)
where:
Base-Base interactions energy: -124.401
where: short stacking energy: -47.077
Base-Backbone interact. energy: -0.049
local terms energy: -53.760484
where:
bonds (distance) C4'-P energy: -5.648
bonds (distance) P-C4' energy: -11.974
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -15.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -81.193817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.193817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.193817 (E_RNA)
where:
Base-Base interactions energy: -27.725
where: short stacking energy: -27.725
Base-Backbone interact. energy: -0.037
local terms energy: -53.432042
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -8.716
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -7.457
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: 83
Temperature: 1.350000
Total energy: -64.949024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.949024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.949024 (E_RNA)
where:
Base-Base interactions energy: -21.236
where: short stacking energy: -10.819
Base-Backbone interact. energy: 0.980
local terms energy: -44.693365
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -10.514
flat angles P-C4'-P energy: -5.869
tors. eta vs tors. theta energy: -0.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -214.520099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.520099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.520099 (E_RNA)
where:
Base-Base interactions energy: -149.559
where: short stacking energy: -56.421
Base-Backbone interact. energy: -0.099
local terms energy: -64.861431
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -14.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -208.877967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.877967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.877967 (E_RNA)
where:
Base-Base interactions energy: -142.613
where: short stacking energy: -65.148
Base-Backbone interact. energy: -1.044
local terms energy: -65.221298
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -10.158
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -18.752
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: 4
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -202.957730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.957730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.957730 (E_RNA)
where:
Base-Base interactions energy: -138.541
where: short stacking energy: -63.835
Base-Backbone interact. energy: -0.000
local terms energy: -64.416389
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -10.447
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -17.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -204.930642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.930642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.930642 (E_RNA)
where:
Base-Base interactions energy: -142.054
where: short stacking energy: -55.150
Base-Backbone interact. energy: -0.057
local terms energy: -62.819614
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -15.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -194.564821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.564821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.564821 (E_RNA)
where:
Base-Base interactions energy: -136.894
where: short stacking energy: -55.297
Base-Backbone interact. energy: -0.087
local terms energy: -57.583438
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -10.147
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -12.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -186.090079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.090079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.090079 (E_RNA)
where:
Base-Base interactions energy: -136.043
where: short stacking energy: -58.318
Base-Backbone interact. energy: -0.016
local terms energy: -50.030911
where:
bonds (distance) C4'-P energy: -10.459
bonds (distance) P-C4' energy: -11.116
flat angles C4'-P-C4' energy: -8.032
flat angles P-C4'-P energy: -6.348
tors. eta vs tors. theta energy: -14.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -169.846438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.846438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.846438 (E_RNA)
where:
Base-Base interactions energy: -112.085
where: short stacking energy: -52.949
Base-Backbone interact. energy: 0.032
local terms energy: -57.794026
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -11.518
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -6.843
tors. eta vs tors. theta energy: -14.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -175.721160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.721160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.721160 (E_RNA)
where:
Base-Base interactions energy: -122.644
where: short stacking energy: -51.175
Base-Backbone interact. energy: 0.805
local terms energy: -53.882255
where:
bonds (distance) C4'-P energy: -9.097
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -6.212
tors. eta vs tors. theta energy: -12.127
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: 7
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -65.899479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.899479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.899479 (E_RNA)
where:
Base-Base interactions energy: -28.023
where: short stacking energy: -27.514
Base-Backbone interact. energy: -0.592
local terms energy: -37.285321
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -8.915
flat angles C4'-P-C4' energy: -11.239
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: 2.255
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: 10, replica: 8
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -79.201406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.201406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.201406 (E_RNA)
where:
Base-Base interactions energy: -33.671
where: short stacking energy: -24.326
Base-Backbone interact. energy: -0.192
local terms energy: -45.338930
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -6.077
tors. eta vs tors. theta energy: -2.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -217.178285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.178285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.178285 (E_RNA)
where:
Base-Base interactions energy: -145.591
where: short stacking energy: -66.012
Base-Backbone interact. energy: -0.001
local terms energy: -71.585796
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -18.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -213.257211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.257211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.257211 (E_RNA)
where:
Base-Base interactions energy: -139.450
where: short stacking energy: -63.737
Base-Backbone interact. energy: -1.101
local terms energy: -72.706170
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -19.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -204.182274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.182274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.182274 (E_RNA)
where:
Base-Base interactions energy: -146.113
where: short stacking energy: -56.141
Base-Backbone interact. energy: -0.005
local terms energy: -58.064160
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -12.705
flat angles C4'-P-C4' energy: -10.143
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -14.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -200.103764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.103764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.103764 (E_RNA)
where:
Base-Base interactions energy: -136.511
where: short stacking energy: -64.803
Base-Backbone interact. energy: -0.002
local terms energy: -63.590726
where:
bonds (distance) C4'-P energy: -12.440
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -17.548
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: 5, replica: 1
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -201.759495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.759495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.759495 (E_RNA)
where:
Base-Base interactions energy: -134.314
where: short stacking energy: -54.635
Base-Backbone interact. energy: -0.022
local terms energy: -67.423884
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -16.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -206.876837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.876837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.876837 (E_RNA)
where:
Base-Base interactions energy: -141.562
where: short stacking energy: -55.779
Base-Backbone interact. energy: 0.034
local terms energy: -65.348785
where:
bonds (distance) C4'-P energy: -10.792
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -14.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -183.301713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.301713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.301713 (E_RNA)
where:
Base-Base interactions energy: -131.112
where: short stacking energy: -62.432
Base-Backbone interact. energy: -0.014
local terms energy: -52.176412
where:
bonds (distance) C4'-P energy: -9.383
bonds (distance) P-C4' energy: -9.280
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -5.772
tors. eta vs tors. theta energy: -14.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -169.386275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.386275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.386275 (E_RNA)
where:
Base-Base interactions energy: -123.329
where: short stacking energy: -50.508
Base-Backbone interact. energy: -0.032
local terms energy: -46.024900
where:
bonds (distance) C4'-P energy: -8.864
bonds (distance) P-C4' energy: -7.939
flat angles C4'-P-C4' energy: -7.061
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -13.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -75.455189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.455189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.455189 (E_RNA)
where:
Base-Base interactions energy: -33.525
where: short stacking energy: -33.525
Base-Backbone interact. energy: -0.096
local terms energy: -41.833708
where:
bonds (distance) C4'-P energy: -8.000
bonds (distance) P-C4' energy: -9.451
flat angles C4'-P-C4' energy: -9.518
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -6.575
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: 8
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -81.050626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.050626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.050626 (E_RNA)
where:
Base-Base interactions energy: -29.350
where: short stacking energy: -24.526
Base-Backbone interact. energy: -0.485
local terms energy: -51.215281
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -10.158
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -4.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -211.649067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.649067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.649067 (E_RNA)
where:
Base-Base interactions energy: -141.264
where: short stacking energy: -66.039
Base-Backbone interact. energy: -0.007
local terms energy: -70.378029
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -11.720
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -19.475
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: 5
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -208.976514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.976514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.976514 (E_RNA)
where:
Base-Base interactions energy: -143.507
where: short stacking energy: -69.742
Base-Backbone interact. energy: -1.924
local terms energy: -63.545436
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -10.678
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -19.688
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: 3, replica: 2
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -193.925584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.925584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.925584 (E_RNA)
where:
Base-Base interactions energy: -133.343
where: short stacking energy: -53.559
Base-Backbone interact. energy: -0.027
local terms energy: -60.554922
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -6.806
tors. eta vs tors. theta energy: -11.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -207.599516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.599516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.599516 (E_RNA)
where:
Base-Base interactions energy: -144.134
where: short stacking energy: -65.992
Base-Backbone interact. energy: -0.710
local terms energy: -62.755914
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -17.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -192.476676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.476676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.476676 (E_RNA)
where:
Base-Base interactions energy: -132.142
where: short stacking energy: -53.947
Base-Backbone interact. energy: -0.033
local terms energy: -60.302003
where:
bonds (distance) C4'-P energy: -9.953
bonds (distance) P-C4' energy: -12.496
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -15.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -189.387634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.387634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.387634 (E_RNA)
where:
Base-Base interactions energy: -126.227
where: short stacking energy: -56.808
Base-Backbone interact. energy: -1.903
local terms energy: -61.257710
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -10.347
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -14.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -181.742232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.742232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.742232 (E_RNA)
where:
Base-Base interactions energy: -120.820
where: short stacking energy: -57.544
Base-Backbone interact. energy: -0.026
local terms energy: -60.896197
where:
bonds (distance) C4'-P energy: -10.547
bonds (distance) P-C4' energy: -10.838
flat angles C4'-P-C4' energy: -11.980
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -16.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -178.342421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.342421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.342421 (E_RNA)
where:
Base-Base interactions energy: -120.051
where: short stacking energy: -49.058
Base-Backbone interact. energy: 1.010
local terms energy: -59.300986
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -13.059
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -10.425
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: 9, replica: 8
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -75.247417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.247417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.247417 (E_RNA)
where:
Base-Base interactions energy: -24.492
where: short stacking energy: -22.849
Base-Backbone interact. energy: -0.278
local terms energy: -50.476832
where:
bonds (distance) C4'-P energy: -11.650
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -0.087
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: 7
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -74.706305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.706305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.706305 (E_RNA)
where:
Base-Base interactions energy: -33.434
where: short stacking energy: -26.893
Base-Backbone interact. energy: 0.161
local terms energy: -41.433182
where:
bonds (distance) C4'-P energy: -2.663
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -9.442
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -7.936
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: 87
Temperature: 0.900000
Total energy: -208.518281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.518281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.518281 (E_RNA)
where:
Base-Base interactions energy: -142.615
where: short stacking energy: -66.376
Base-Backbone interact. energy: -0.004
local terms energy: -65.899274
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -14.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -208.636956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.636956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.636956 (E_RNA)
where:
Base-Base interactions energy: -139.722
where: short stacking energy: -67.514
Base-Backbone interact. energy: -0.006
local terms energy: -68.909374
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -17.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -205.120049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.120049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.120049 (E_RNA)
where:
Base-Base interactions energy: -144.451
where: short stacking energy: -58.731
Base-Backbone interact. energy: -0.080
local terms energy: -60.588847
where:
bonds (distance) C4'-P energy: -11.562
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -12.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -204.530500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.530500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.530500 (E_RNA)
where:
Base-Base interactions energy: -139.624
where: short stacking energy: -61.056
Base-Backbone interact. energy: -1.854
local terms energy: -63.052325
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -17.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -196.592025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.592025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.592025 (E_RNA)
where:
Base-Base interactions energy: -133.926
where: short stacking energy: -65.014
Base-Backbone interact. energy: -0.161
local terms energy: -62.505220
where:
bonds (distance) C4'-P energy: -7.845
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -9.151
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: 6, replica: 10
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -189.836551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.836551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.836551 (E_RNA)
where:
Base-Base interactions energy: -122.879
where: short stacking energy: -54.679
Base-Backbone interact. energy: -0.013
local terms energy: -66.944754
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -12.386
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -16.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -189.488838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.488838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.488838 (E_RNA)
where:
Base-Base interactions energy: -127.318
where: short stacking energy: -58.158
Base-Backbone interact. energy: -0.400
local terms energy: -61.770620
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -10.975
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: -14.232
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: 8, replica: 6
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -183.906031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.906031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.906031 (E_RNA)
where:
Base-Base interactions energy: -124.121
where: short stacking energy: -54.934
Base-Backbone interact. energy: -1.195
local terms energy: -58.589590
where:
bonds (distance) C4'-P energy: -10.868
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -4.971
tors. eta vs tors. theta energy: -15.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -80.058941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.058941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.058941 (E_RNA)
where:
Base-Base interactions energy: -32.770
where: short stacking energy: -29.205
Base-Backbone interact. energy: -0.085
local terms energy: -47.203323
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -11.019
flat angles P-C4'-P energy: -5.251
tors. eta vs tors. theta energy: -1.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -75.783319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.783319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.783319 (E_RNA)
where:
Base-Base interactions energy: -26.702
where: short stacking energy: -26.702
Base-Backbone interact. energy: -0.172
local terms energy: -48.909563
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -7.530
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -7.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -208.474730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.474730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.474730 (E_RNA)
where:
Base-Base interactions energy: -141.935
where: short stacking energy: -65.847
Base-Backbone interact. energy: -0.243
local terms energy: -66.296205
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -7.733
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -16.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -207.999911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.999911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.999911 (E_RNA)
where:
Base-Base interactions energy: -135.628
where: short stacking energy: -67.933
Base-Backbone interact. energy: -0.440
local terms energy: -71.932244
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -16.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -202.927289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.927289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.927289 (E_RNA)
where:
Base-Base interactions energy: -144.914
where: short stacking energy: -65.505
Base-Backbone interact. energy: -0.042
local terms energy: -57.971728
where:
bonds (distance) C4'-P energy: -5.864
bonds (distance) P-C4' energy: -11.498
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -11.289
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: 4, replica: 2
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -199.313603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.313603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.313603 (E_RNA)
where:
Base-Base interactions energy: -143.723
where: short stacking energy: -57.828
Base-Backbone interact. energy: 0.493
local terms energy: -56.083424
where:
bonds (distance) C4'-P energy: -8.508
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -8.414
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: 5, replica: 10
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -199.337654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.337654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.337654 (E_RNA)
where:
Base-Base interactions energy: -140.206
where: short stacking energy: -59.171
Base-Backbone interact. energy: -0.267
local terms energy: -58.864724
where:
bonds (distance) C4'-P energy: -6.439
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -16.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -189.672952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.672952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.672952 (E_RNA)
where:
Base-Base interactions energy: -133.611
where: short stacking energy: -62.168
Base-Backbone interact. energy: -0.128
local terms energy: -55.933288
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -7.904
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -12.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -170.867375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.867375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.867375 (E_RNA)
where:
Base-Base interactions energy: -118.985
where: short stacking energy: -48.239
Base-Backbone interact. energy: -0.448
local terms energy: -51.434366
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -10.039
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -10.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -167.357680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.357680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.357680 (E_RNA)
where:
Base-Base interactions energy: -109.681
where: short stacking energy: -55.045
Base-Backbone interact. energy: -0.009
local terms energy: -57.667735
where:
bonds (distance) C4'-P energy: -10.595
bonds (distance) P-C4' energy: -10.088
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -13.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -78.814960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.814960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.814960 (E_RNA)
where:
Base-Base interactions energy: -29.331
where: short stacking energy: -29.331
Base-Backbone interact. energy: -0.176
local terms energy: -49.308835
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -9.737
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -6.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -74.092749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.092749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.092749 (E_RNA)
where:
Base-Base interactions energy: -30.237
where: short stacking energy: -27.927
Base-Backbone interact. energy: -0.218
local terms energy: -43.638699
where:
bonds (distance) C4'-P energy: -10.066
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -9.871
flat angles P-C4'-P energy: -6.874
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: 4
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -215.013288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.013288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.013288 (E_RNA)
where:
Base-Base interactions energy: -145.022
where: short stacking energy: -66.129
Base-Backbone interact. energy: -1.050
local terms energy: -68.941460
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -17.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -208.165648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.165648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.165648 (E_RNA)
where:
Base-Base interactions energy: -142.696
where: short stacking energy: -61.276
Base-Backbone interact. energy: -0.000
local terms energy: -65.469568
where:
bonds (distance) C4'-P energy: -8.741
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -15.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -206.701463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.701463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.701463 (E_RNA)
where:
Base-Base interactions energy: -146.133
where: short stacking energy: -57.132
Base-Backbone interact. energy: -0.356
local terms energy: -60.212049
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -11.182
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -9.154
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: 4, replica: 10
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -201.460759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.460759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.460759 (E_RNA)
where:
Base-Base interactions energy: -134.212
where: short stacking energy: -65.822
Base-Backbone interact. energy: -0.036
local terms energy: -67.212919
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -15.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -192.296472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.296472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.296472 (E_RNA)
where:
Base-Base interactions energy: -129.649
where: short stacking energy: -55.578
Base-Backbone interact. energy: -0.039
local terms energy: -62.608039
where:
bonds (distance) C4'-P energy: -9.587
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -15.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -185.772116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.772116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.772116 (E_RNA)
where:
Base-Base interactions energy: -128.656
where: short stacking energy: -55.984
Base-Backbone interact. energy: -0.042
local terms energy: -57.074700
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -10.184
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -6.463
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: 7, replica: 3
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -190.844683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.844683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.844683 (E_RNA)
where:
Base-Base interactions energy: -133.312
where: short stacking energy: -52.096
Base-Backbone interact. energy: -0.007
local terms energy: -57.525483
where:
bonds (distance) C4'-P energy: -10.087
bonds (distance) P-C4' energy: -11.502
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -14.814
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: 89
Temperature: 1.250000
Total energy: -169.732043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.732043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.732043 (E_RNA)
where:
Base-Base interactions energy: -115.575
where: short stacking energy: -51.012
Base-Backbone interact. energy: -0.005
local terms energy: -54.151655
where:
bonds (distance) C4'-P energy: -9.039
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -10.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -91.311753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.311753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.311753 (E_RNA)
where:
Base-Base interactions energy: -38.430
where: short stacking energy: -38.430
Base-Backbone interact. energy: -0.001
local terms energy: -52.880651
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -10.394
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -10.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -75.551010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.551010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.551010 (E_RNA)
where:
Base-Base interactions energy: -30.560
where: short stacking energy: -27.456
Base-Backbone interact. energy: 1.286
local terms energy: -46.277665
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -10.446
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -4.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -210.264960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.264960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.264960 (E_RNA)
where:
Base-Base interactions energy: -143.259
where: short stacking energy: -63.911
Base-Backbone interact. energy: -0.148
local terms energy: -66.857867
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -6.365
tors. eta vs tors. theta energy: -18.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -205.048974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.048974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.048974 (E_RNA)
where:
Base-Base interactions energy: -138.482
where: short stacking energy: -66.396
Base-Backbone interact. energy: -0.108
local terms energy: -66.458405
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -16.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -204.803243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.803243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.803243 (E_RNA)
where:
Base-Base interactions energy: -143.342
where: short stacking energy: -57.301
Base-Backbone interact. energy: -0.841
local terms energy: -60.620722
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -12.189
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -16.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -186.363442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.363442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.363442 (E_RNA)
where:
Base-Base interactions energy: -130.640
where: short stacking energy: -52.846
Base-Backbone interact. energy: -0.341
local terms energy: -55.382453
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -8.624
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -9.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -187.729532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.729532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.729532 (E_RNA)
where:
Base-Base interactions energy: -135.793
where: short stacking energy: -61.631
Base-Backbone interact. energy: -0.018
local terms energy: -51.918775
where:
bonds (distance) C4'-P energy: -10.683
bonds (distance) P-C4' energy: -8.066
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -6.492
tors. eta vs tors. theta energy: -14.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -201.343628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.343628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.343628 (E_RNA)
where:
Base-Base interactions energy: -135.332
where: short stacking energy: -60.496
Base-Backbone interact. energy: -0.000
local terms energy: -66.011548
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -16.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -182.179325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.179325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.179325 (E_RNA)
where:
Base-Base interactions energy: -126.574
where: short stacking energy: -51.810
Base-Backbone interact. energy: -0.617
local terms energy: -54.987646
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -9.757
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -13.601
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: 1
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -182.690090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.690090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.690090 (E_RNA)
where:
Base-Base interactions energy: -136.508
where: short stacking energy: -54.305
Base-Backbone interact. energy: -0.698
local terms energy: -45.484508
where:
bonds (distance) C4'-P energy: -13.799
bonds (distance) P-C4' energy: -5.839
flat angles C4'-P-C4' energy: -11.770
flat angles P-C4'-P energy: -1.481
tors. eta vs tors. theta energy: -12.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -70.000493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.000493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.000493 (E_RNA)
where:
Base-Base interactions energy: -18.454
where: short stacking energy: -17.116
Base-Backbone interact. energy: -0.078
local terms energy: -51.467847
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -11.205
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -2.634
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: 10, replica: 7
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -76.190676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.190676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.190676 (E_RNA)
where:
Base-Base interactions energy: -33.065
where: short stacking energy: -29.269
Base-Backbone interact. energy: -0.013
local terms energy: -43.113108
where:
bonds (distance) C4'-P energy: -9.661
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -5.610
tors. eta vs tors. theta energy: -1.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -212.092761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.092761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.092761 (E_RNA)
where:
Base-Base interactions energy: -141.882
where: short stacking energy: -61.910
Base-Backbone interact. energy: -2.404
local terms energy: -67.806736
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -17.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -215.149546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.149546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.149546 (E_RNA)
where:
Base-Base interactions energy: -150.823
where: short stacking energy: -62.643
Base-Backbone interact. energy: -0.371
local terms energy: -63.956131
where:
bonds (distance) C4'-P energy: -9.093
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -17.900
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: 9
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -208.762734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.762734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.762734 (E_RNA)
where:
Base-Base interactions energy: -140.436
where: short stacking energy: -68.472
Base-Backbone interact. energy: -0.034
local terms energy: -68.292329
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -18.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -198.508743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.508743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.508743 (E_RNA)
where:
Base-Base interactions energy: -136.559
where: short stacking energy: -64.802
Base-Backbone interact. energy: -0.009
local terms energy: -61.940701
where:
bonds (distance) C4'-P energy: -13.505
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -8.436
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -16.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -189.233911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.233911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.233911 (E_RNA)
where:
Base-Base interactions energy: -130.134
where: short stacking energy: -52.090
Base-Backbone interact. energy: -0.100
local terms energy: -58.999726
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -9.787
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -15.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -197.635048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.635048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.635048 (E_RNA)
where:
Base-Base interactions energy: -132.417
where: short stacking energy: -59.703
Base-Backbone interact. energy: -0.634
local terms energy: -64.583972
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -11.396
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -16.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -193.322001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.322001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.322001 (E_RNA)
where:
Base-Base interactions energy: -128.814
where: short stacking energy: -58.469
Base-Backbone interact. energy: -0.847
local terms energy: -63.661598
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -12.648
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -16.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -172.559409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.559409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.559409 (E_RNA)
where:
Base-Base interactions energy: -113.373
where: short stacking energy: -45.405
Base-Backbone interact. energy: -0.176
local terms energy: -59.011174
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -9.870
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -9.799
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: 9, replica: 8
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -76.703599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.703599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.703599 (E_RNA)
where:
Base-Base interactions energy: -29.909
where: short stacking energy: -29.909
Base-Backbone interact. energy: -0.063
local terms energy: -46.731795
where:
bonds (distance) C4'-P energy: -9.639
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -3.791
tors. eta vs tors. theta energy: -6.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -66.178518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.178518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.178518 (E_RNA)
where:
Base-Base interactions energy: -21.276
where: short stacking energy: -15.196
Base-Backbone interact. energy: 0.266
local terms energy: -45.168534
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -9.529
flat angles P-C4'-P energy: -5.784
tors. eta vs tors. theta energy: -2.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -215.262123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.262123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.262123 (E_RNA)
where:
Base-Base interactions energy: -145.906
where: short stacking energy: -61.939
Base-Backbone interact. energy: -2.087
local terms energy: -67.268623
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -16.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -207.341111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.341111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.341111 (E_RNA)
where:
Base-Base interactions energy: -146.207
where: short stacking energy: -65.083
Base-Backbone interact. energy: -0.001
local terms energy: -61.133414
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -11.026
flat angles P-C4'-P energy: -6.970
tors. eta vs tors. theta energy: -15.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -204.103494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.103494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.103494 (E_RNA)
where:
Base-Base interactions energy: -140.425
where: short stacking energy: -59.276
Base-Backbone interact. energy: -0.879
local terms energy: -62.799466
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -10.322
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -9.735
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: 4, replica: 9
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -203.328889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.328889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.328889 (E_RNA)
where:
Base-Base interactions energy: -137.709
where: short stacking energy: -65.246
Base-Backbone interact. energy: -0.017
local terms energy: -65.603152
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -15.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -192.136005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.136005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.136005 (E_RNA)
where:
Base-Base interactions energy: -136.415
where: short stacking energy: -63.765
Base-Backbone interact. energy: 1.338
local terms energy: -57.058292
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -10.063
flat angles C4'-P-C4' energy: -10.653
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -14.072
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: 2
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -192.417062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.417062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.417062 (E_RNA)
where:
Base-Base interactions energy: -132.576
where: short stacking energy: -63.242
Base-Backbone interact. energy: -0.326
local terms energy: -59.515084
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -7.358
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -16.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -194.783557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.783557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.783557 (E_RNA)
where:
Base-Base interactions energy: -140.963
where: short stacking energy: -55.330
Base-Backbone interact. energy: -0.010
local terms energy: -53.810588
where:
bonds (distance) C4'-P energy: -9.901
bonds (distance) P-C4' energy: -7.019
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -15.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -192.432533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.432533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.432533 (E_RNA)
where:
Base-Base interactions energy: -136.895
where: short stacking energy: -53.621
Base-Backbone interact. energy: -0.389
local terms energy: -55.148375
where:
bonds (distance) C4'-P energy: -8.115
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -14.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -80.862036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.862036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.862036 (E_RNA)
where:
Base-Base interactions energy: -31.659
where: short stacking energy: -31.659
Base-Backbone interact. energy: -0.134
local terms energy: -49.069155
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -1.395
tors. eta vs tors. theta energy: -6.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -81.077106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.077106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.077106 (E_RNA)
where:
Base-Base interactions energy: -38.956
where: short stacking energy: -29.053
Base-Backbone interact. energy: 0.983
local terms energy: -43.103573
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -5.967
flat angles P-C4'-P energy: -4.814
tors. eta vs tors. theta energy: -5.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -215.340806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.340806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.340806 (E_RNA)
where:
Base-Base interactions energy: -143.905
where: short stacking energy: -61.893
Base-Backbone interact. energy: -2.138
local terms energy: -69.297828
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -13.749
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -19.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -209.366987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.366987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.366987 (E_RNA)
where:
Base-Base interactions energy: -139.465
where: short stacking energy: -66.213
Base-Backbone interact. energy: -0.439
local terms energy: -69.463142
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -17.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -205.842561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.842561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.842561 (E_RNA)
where:
Base-Base interactions energy: -137.697
where: short stacking energy: -68.803
Base-Backbone interact. energy: -0.564
local terms energy: -67.582422
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -17.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -197.006514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.006514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.006514 (E_RNA)
where:
Base-Base interactions energy: -136.399
where: short stacking energy: -52.345
Base-Backbone interact. energy: -0.379
local terms energy: -60.228066
where:
bonds (distance) C4'-P energy: -7.917
bonds (distance) P-C4' energy: -11.183
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -14.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -199.944871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.944871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.944871 (E_RNA)
where:
Base-Base interactions energy: -134.456
where: short stacking energy: -60.076
Base-Backbone interact. energy: -0.002
local terms energy: -65.486268
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -16.904
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: 6, replica: 2
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -184.602887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.602887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.602887 (E_RNA)
where:
Base-Base interactions energy: -133.842
where: short stacking energy: -59.433
Base-Backbone interact. energy: -0.012
local terms energy: -50.749721
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -7.514
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -5.847
tors. eta vs tors. theta energy: -12.344
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: 7, replica: 3
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -189.473097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.473097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.473097 (E_RNA)
where:
Base-Base interactions energy: -136.402
where: short stacking energy: -55.216
Base-Backbone interact. energy: -0.609
local terms energy: -52.461725
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -5.949
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -6.335
tors. eta vs tors. theta energy: -15.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -184.205288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.205288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.205288 (E_RNA)
where:
Base-Base interactions energy: -125.759
where: short stacking energy: -57.249
Base-Backbone interact. energy: -0.068
local terms energy: -58.378060
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -9.549
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -16.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -63.223226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.223226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.223226 (E_RNA)
where:
Base-Base interactions energy: -23.345
where: short stacking energy: -23.345
Base-Backbone interact. energy: -0.048
local terms energy: -39.830055
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -10.675
flat angles C4'-P-C4' energy: -8.814
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: 1.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -69.174162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.174162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.174162 (E_RNA)
where:
Base-Base interactions energy: -24.573
where: short stacking energy: -24.573
Base-Backbone interact. energy: -0.016
local terms energy: -44.585318
where:
bonds (distance) C4'-P energy: -8.331
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -10.225
flat angles P-C4'-P energy: -9.986
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: 1, replica: 4
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -211.186477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.186477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.186477 (E_RNA)
where:
Base-Base interactions energy: -142.257
where: short stacking energy: -61.050
Base-Backbone interact. energy: -0.002
local terms energy: -68.926883
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -18.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -207.950323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.950323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.950323 (E_RNA)
where:
Base-Base interactions energy: -138.757
where: short stacking energy: -64.003
Base-Backbone interact. energy: -0.022
local terms energy: -69.170961
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -17.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -215.603876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.603876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.603876 (E_RNA)
where:
Base-Base interactions energy: -145.375
where: short stacking energy: -66.806
Base-Backbone interact. energy: 0.804
local terms energy: -71.032528
where:
bonds (distance) C4'-P energy: -13.215
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -17.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -196.676591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.676591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.676591 (E_RNA)
where:
Base-Base interactions energy: -135.722
where: short stacking energy: -57.200
Base-Backbone interact. energy: -0.107
local terms energy: -60.847306
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -10.686
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -16.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -204.605735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.605735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.605735 (E_RNA)
where:
Base-Base interactions energy: -142.936
where: short stacking energy: -63.476
Base-Backbone interact. energy: -1.527
local terms energy: -60.143084
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -16.954
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: 9
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -195.809359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.809359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.809359 (E_RNA)
where:
Base-Base interactions energy: -138.602
where: short stacking energy: -62.934
Base-Backbone interact. energy: -0.261
local terms energy: -56.946743
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -8.957
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -15.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -177.856495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.856495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.856495 (E_RNA)
where:
Base-Base interactions energy: -114.870
where: short stacking energy: -47.264
Base-Backbone interact. energy: -0.105
local terms energy: -62.881547
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -11.700
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -13.981
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: 3
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -185.873489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.873489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.873489 (E_RNA)
where:
Base-Base interactions energy: -124.908
where: short stacking energy: -57.973
Base-Backbone interact. energy: -2.267
local terms energy: -58.698442
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -10.696
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -15.897
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: 7
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -79.040471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.040471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.040471 (E_RNA)
where:
Base-Base interactions energy: -31.804
where: short stacking energy: -18.246
Base-Backbone interact. energy: -0.404
local terms energy: -46.832043
where:
bonds (distance) C4'-P energy: -11.109
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -11.069
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -1.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -74.046014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.046014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.046014 (E_RNA)
where:
Base-Base interactions energy: -25.218
where: short stacking energy: -25.218
Base-Backbone interact. energy: -0.024
local terms energy: -48.804049
where:
bonds (distance) C4'-P energy: -8.359
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -7.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -206.503772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.503772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.503772 (E_RNA)
where:
Base-Base interactions energy: -139.987
where: short stacking energy: -66.147
Base-Backbone interact. energy: -0.572
local terms energy: -65.944460
where:
bonds (distance) C4'-P energy: -10.660
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -10.262
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: 2, replica: 6
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -206.602288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.602288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.602288 (E_RNA)
where:
Base-Base interactions energy: -139.378
where: short stacking energy: -66.714
Base-Backbone interact. energy: -0.000
local terms energy: -67.224060
where:
bonds (distance) C4'-P energy: -9.893
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -17.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -199.765716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.765716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.765716 (E_RNA)
where:
Base-Base interactions energy: -130.769
where: short stacking energy: -60.997
Base-Backbone interact. energy: -0.544
local terms energy: -68.452323
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -11.851
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -17.383
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: 4, replica: 5
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -200.103885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.103885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.103885 (E_RNA)
where:
Base-Base interactions energy: -134.507
where: short stacking energy: -52.194
Base-Backbone interact. energy: -0.873
local terms energy: -64.723885
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -12.490
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: -17.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -191.830293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.830293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.830293 (E_RNA)
where:
Base-Base interactions energy: -137.763
where: short stacking energy: -52.968
Base-Backbone interact. energy: -0.289
local terms energy: -53.777828
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -9.266
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -7.231
tors. eta vs tors. theta energy: -13.088
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: 9
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -189.445342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.445342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.445342 (E_RNA)
where:
Base-Base interactions energy: -129.526
where: short stacking energy: -61.153
Base-Backbone interact. energy: -0.082
local terms energy: -59.837876
where:
bonds (distance) C4'-P energy: -8.626
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -9.198
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -19.071
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: 7, replica: 1
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -187.834902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.834902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.834902 (E_RNA)
where:
Base-Base interactions energy: -127.969
where: short stacking energy: -57.221
Base-Backbone interact. energy: -0.217
local terms energy: -59.648280
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -15.375
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: 3
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -180.531106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.531106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.531106 (E_RNA)
where:
Base-Base interactions energy: -126.525
where: short stacking energy: -54.730
Base-Backbone interact. energy: -0.501
local terms energy: -53.505545
where:
bonds (distance) C4'-P energy: -10.700
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -10.138
flat angles P-C4'-P energy: -5.687
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: 9, replica: 7
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -109.889457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.889457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.889457 (E_RNA)
where:
Base-Base interactions energy: -66.915
where: short stacking energy: -29.646
Base-Backbone interact. energy: -0.061
local terms energy: -42.913429
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -9.256
flat angles C4'-P-C4' energy: -9.805
flat angles P-C4'-P energy: -7.150
tors. eta vs tors. theta energy: -6.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -68.907509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.907509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.907509 (E_RNA)
where:
Base-Base interactions energy: -24.683
where: short stacking energy: -24.683
Base-Backbone interact. energy: -0.035
local terms energy: -44.189473
where:
bonds (distance) C4'-P energy: -6.069
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -3.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -210.607577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.607577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.607577 (E_RNA)
where:
Base-Base interactions energy: -143.692
where: short stacking energy: -69.003
Base-Backbone interact. energy: -0.000
local terms energy: -66.915865
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -14.454
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -16.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -210.502851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.502851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.502851 (E_RNA)
where:
Base-Base interactions energy: -140.647
where: short stacking energy: -68.240
Base-Backbone interact. energy: -0.029
local terms energy: -69.826840
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -17.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -214.755392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.755392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.755392 (E_RNA)
where:
Base-Base interactions energy: -146.861
where: short stacking energy: -56.438
Base-Backbone interact. energy: -0.099
local terms energy: -67.795391
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -18.556
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: 10
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -200.124197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.124197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.124197 (E_RNA)
where:
Base-Base interactions energy: -135.841
where: short stacking energy: -55.729
Base-Backbone interact. energy: -0.104
local terms energy: -64.178835
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -15.096
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: 9
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -188.785922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.785922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.785922 (E_RNA)
where:
Base-Base interactions energy: -128.488
where: short stacking energy: -58.128
Base-Backbone interact. energy: -0.048
local terms energy: -60.249284
where:
bonds (distance) C4'-P energy: -8.253
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -14.245
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -16.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -196.752251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.752251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.752251 (E_RNA)
where:
Base-Base interactions energy: -133.635
where: short stacking energy: -62.808
Base-Backbone interact. energy: -0.365
local terms energy: -62.752186
where:
bonds (distance) C4'-P energy: -9.773
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -15.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -188.852610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.852610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.852610 (E_RNA)
where:
Base-Base interactions energy: -133.558
where: short stacking energy: -57.107
Base-Backbone interact. energy: -0.220
local terms energy: -55.074267
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -9.501
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: -10.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -189.064792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.064792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.064792 (E_RNA)
where:
Base-Base interactions energy: -129.944
where: short stacking energy: -55.416
Base-Backbone interact. energy: -0.174
local terms energy: -58.946595
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -8.830
tors. eta vs tors. theta energy: -11.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -118.952883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.952883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.952883 (E_RNA)
where:
Base-Base interactions energy: -69.509
where: short stacking energy: -38.316
Base-Backbone interact. energy: -0.523
local terms energy: -48.920689
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -6.928
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: 10, replica: 8
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -78.419898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.419898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.419898 (E_RNA)
where:
Base-Base interactions energy: -28.375
where: short stacking energy: -22.018
Base-Backbone interact. energy: -0.356
local terms energy: -49.689287
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -1.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -212.991946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.991946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.991946 (E_RNA)
where:
Base-Base interactions energy: -142.029
where: short stacking energy: -67.223
Base-Backbone interact. energy: -0.003
local terms energy: -70.960202
where:
bonds (distance) C4'-P energy: -12.520
bonds (distance) P-C4' energy: -11.848
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -18.351
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: 5
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -210.792709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.792709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.792709 (E_RNA)
where:
Base-Base interactions energy: -142.739
where: short stacking energy: -57.397
Base-Backbone interact. energy: -0.246
local terms energy: -67.807836
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -14.899
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: 97
Temperature: 1.000000
Total energy: -202.964933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.964933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.964933 (E_RNA)
where:
Base-Base interactions energy: -138.064
where: short stacking energy: -53.997
Base-Backbone interact. energy: -1.275
local terms energy: -63.626480
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: -16.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -207.386956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.386956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.386956 (E_RNA)
where:
Base-Base interactions energy: -142.361
where: short stacking energy: -53.707
Base-Backbone interact. energy: -0.005
local terms energy: -65.020391
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -7.143
tors. eta vs tors. theta energy: -17.711
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: 10
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -200.691463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.691463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.691463 (E_RNA)
where:
Base-Base interactions energy: -133.773
where: short stacking energy: -66.568
Base-Backbone interact. energy: -0.000
local terms energy: -66.918747
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -11.077
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -17.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -199.151564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.151564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.151564 (E_RNA)
where:
Base-Base interactions energy: -132.550
where: short stacking energy: -60.156
Base-Backbone interact. energy: -0.001
local terms energy: -66.600965
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -10.788
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -19.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -198.917668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.917668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.917668 (E_RNA)
where:
Base-Base interactions energy: -137.158
where: short stacking energy: -63.057
Base-Backbone interact. energy: -0.014
local terms energy: -61.746416
where:
bonds (distance) C4'-P energy: -10.154
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -17.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -185.326580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.326580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.326580 (E_RNA)
where:
Base-Base interactions energy: -123.937
where: short stacking energy: -53.558
Base-Backbone interact. energy: -0.003
local terms energy: -61.386593
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -15.294
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: 7
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -100.504114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.504114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.504114 (E_RNA)
where:
Base-Base interactions energy: -61.974
where: short stacking energy: -32.156
Base-Backbone interact. energy: -0.260
local terms energy: -38.269791
where:
bonds (distance) C4'-P energy: -9.701
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -9.223
flat angles P-C4'-P energy: -4.512
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: 10, replica: 8
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -97.613804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.613804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.613804 (E_RNA)
where:
Base-Base interactions energy: -52.860
where: short stacking energy: -29.393
Base-Backbone interact. energy: -0.435
local terms energy: -44.318739
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -11.686
flat angles C4'-P-C4' energy: -11.770
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -1.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -212.663901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.663901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.663901 (E_RNA)
where:
Base-Base interactions energy: -143.798
where: short stacking energy: -59.909
Base-Backbone interact. energy: -0.062
local terms energy: -68.803884
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: -19.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -200.747522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.747522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.747522 (E_RNA)
where:
Base-Base interactions energy: -134.936
where: short stacking energy: -58.237
Base-Backbone interact. energy: -0.046
local terms energy: -65.765196
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -12.425
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -15.881
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: 4
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -206.633316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.633316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.633316 (E_RNA)
where:
Base-Base interactions energy: -139.264
where: short stacking energy: -65.361
Base-Backbone interact. energy: -1.249
local terms energy: -66.120869
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -10.375
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -18.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -211.199509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.199509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.199509 (E_RNA)
where:
Base-Base interactions energy: -139.668
where: short stacking energy: -65.049
Base-Backbone interact. energy: -1.062
local terms energy: -70.469441
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -19.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -188.180210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.180210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.180210 (E_RNA)
where:
Base-Base interactions energy: -127.216
where: short stacking energy: -53.269
Base-Backbone interact. energy: -0.237
local terms energy: -60.727118
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -10.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -199.857102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.857102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.857102 (E_RNA)
where:
Base-Base interactions energy: -128.559
where: short stacking energy: -57.431
Base-Backbone interact. energy: -0.000
local terms energy: -71.298039
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -12.735
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -18.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -188.554562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.554562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.554562 (E_RNA)
where:
Base-Base interactions energy: -123.117
where: short stacking energy: -49.777
Base-Backbone interact. energy: -0.720
local terms energy: -64.717257
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -15.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -195.091505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.091505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.091505 (E_RNA)
where:
Base-Base interactions energy: -128.227
where: short stacking energy: -59.361
Base-Backbone interact. energy: -0.004
local terms energy: -66.860147
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -16.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -82.147081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.147081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.147081 (E_RNA)
where:
Base-Base interactions energy: -31.901
where: short stacking energy: -31.901
Base-Backbone interact. energy: -0.153
local terms energy: -50.093420
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -3.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -92.612107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.612107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.612107 (E_RNA)
where:
Base-Base interactions energy: -46.066
where: short stacking energy: -29.407
Base-Backbone interact. energy: -0.276
local terms energy: -46.269867
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -11.073
flat angles P-C4'-P energy: -5.680
tors. eta vs tors. theta energy: -1.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -209.809936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.809936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.809936 (E_RNA)
where:
Base-Base interactions energy: -144.055
where: short stacking energy: -62.020
Base-Backbone interact. energy: -0.175
local terms energy: -65.579210
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -6.092
tors. eta vs tors. theta energy: -17.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -208.046030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.046030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.046030 (E_RNA)
where:
Base-Base interactions energy: -144.295
where: short stacking energy: -67.668
Base-Backbone interact. energy: -0.158
local terms energy: -63.592873
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -7.185
tors. eta vs tors. theta energy: -16.256
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: 99
Temperature: 1.000000
Total energy: -205.424103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.424103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.424103 (E_RNA)
where:
Base-Base interactions energy: -139.680
where: short stacking energy: -58.164
Base-Backbone interact. energy: -1.111
local terms energy: -64.632955
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -16.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -210.863397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.863397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.863397 (E_RNA)
where:
Base-Base interactions energy: -142.483
where: short stacking energy: -62.895
Base-Backbone interact. energy: -0.009
local terms energy: -68.371744
where:
bonds (distance) C4'-P energy: -10.522
bonds (distance) P-C4' energy: -11.867
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -19.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -198.212314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.212314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.212314 (E_RNA)
where:
Base-Base interactions energy: -138.838
where: short stacking energy: -61.142
Base-Backbone interact. energy: -0.199
local terms energy: -59.175543
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -9.673
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -16.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -204.923143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.923143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.923143 (E_RNA)
where:
Base-Base interactions energy: -133.862
where: short stacking energy: -62.545
Base-Backbone interact. energy: -0.074
local terms energy: -70.986850
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -18.644
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: 1
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -189.872096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.872096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.872096 (E_RNA)
where:
Base-Base interactions energy: -127.413
where: short stacking energy: -58.448
Base-Backbone interact. energy: -0.005
local terms energy: -62.454277
where:
bonds (distance) C4'-P energy: -9.978
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -17.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -181.648730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.648730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.648730 (E_RNA)
where:
Base-Base interactions energy: -128.194
where: short stacking energy: -49.642
Base-Backbone interact. energy: -0.003
local terms energy: -53.451567
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -10.944
flat angles P-C4'-P energy: 0.012
tors. eta vs tors. theta energy: -18.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -120.788469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.788469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.788469 (E_RNA)
where:
Base-Base interactions energy: -81.549
where: short stacking energy: -32.867
Base-Backbone interact. energy: -0.191
local terms energy: -39.049156
where:
bonds (distance) C4'-P energy: -9.425
bonds (distance) P-C4' energy: -11.400
flat angles C4'-P-C4' energy: -9.931
flat angles P-C4'-P energy: -5.538
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: 99
Temperature: 1.350000
Total energy: -78.393729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.393729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.393729 (E_RNA)
where:
Base-Base interactions energy: -37.256
where: short stacking energy: -28.034
Base-Backbone interact. energy: 1.306
local terms energy: -42.443529
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -11.262
flat angles P-C4'-P energy: -2.025
tors. eta vs tors. theta energy: -2.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -215.805644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.805644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.805644 (E_RNA)
where:
Base-Base interactions energy: -145.560
where: short stacking energy: -61.659
Base-Backbone interact. energy: -0.081
local terms energy: -70.164741
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -17.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -203.400768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.400768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.400768 (E_RNA)
where:
Base-Base interactions energy: -138.658
where: short stacking energy: -60.831
Base-Backbone interact. energy: -0.001
local terms energy: -64.742091
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -16.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -207.030750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.030750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.030750 (E_RNA)
where:
Base-Base interactions energy: -137.079
where: short stacking energy: -64.932
Base-Backbone interact. energy: -0.711
local terms energy: -69.240340
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -10.666
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -19.975
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: 6
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -203.383394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.383394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.383394 (E_RNA)
where:
Base-Base interactions energy: -138.662
where: short stacking energy: -57.062
Base-Backbone interact. energy: -0.114
local terms energy: -64.608012
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -8.326
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -17.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -202.195894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.195894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.195894 (E_RNA)
where:
Base-Base interactions energy: -135.393
where: short stacking energy: -60.579
Base-Backbone interact. energy: -0.045
local terms energy: -66.758083
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -17.793
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: 9
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -197.801907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.801907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.801907 (E_RNA)
where:
Base-Base interactions energy: -134.723
where: short stacking energy: -54.180
Base-Backbone interact. energy: -0.072
local terms energy: -63.006481
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -6.012
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: 7, replica: 1
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -173.094807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.094807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.094807 (E_RNA)
where:
Base-Base interactions energy: -119.078
where: short stacking energy: -50.302
Base-Backbone interact. energy: -0.034
local terms energy: -53.982402
where:
bonds (distance) C4'-P energy: -10.214
bonds (distance) P-C4' energy: -9.247
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -13.473
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: 100
Temperature: 1.250000
Total energy: -157.185598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.185598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.185598 (E_RNA)
where:
Base-Base interactions energy: -109.157
where: short stacking energy: -40.917
Base-Backbone interact. energy: -0.339
local terms energy: -47.690215
where:
bonds (distance) C4'-P energy: -10.481
bonds (distance) P-C4' energy: -6.704
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -6.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -153.153304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.153304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.153304 (E_RNA)
where:
Base-Base interactions energy: -114.639
where: short stacking energy: -45.315
Base-Backbone interact. energy: -0.149
local terms energy: -38.365339
where:
bonds (distance) C4'-P energy: -8.871
bonds (distance) P-C4' energy: -6.782
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -5.033
tors. eta vs tors. theta energy: -6.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -72.412899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.412899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.412899 (E_RNA)
where:
Base-Base interactions energy: -30.591
where: short stacking energy: -26.562
Base-Backbone interact. energy: -0.082
local terms energy: -41.739749
where:
bonds (distance) C4'-P energy: -7.101
bonds (distance) P-C4' energy: -11.179
flat angles C4'-P-C4' energy: -9.378
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -4.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -212.280908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.280908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.280908 (E_RNA)
where:
Base-Base interactions energy: -143.035
where: short stacking energy: -63.030
Base-Backbone interact. energy: -0.218
local terms energy: -69.028101
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -16.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -201.334988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.334988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.334988 (E_RNA)
where:
Base-Base interactions energy: -134.497
where: short stacking energy: -56.252
Base-Backbone interact. energy: -0.311
local terms energy: -66.527060
where:
bonds (distance) C4'-P energy: -10.145
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -16.187
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: 5
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -209.919053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.919053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.919053 (E_RNA)
where:
Base-Base interactions energy: -139.412
where: short stacking energy: -66.418
Base-Backbone interact. energy: -0.009
local terms energy: -70.498587
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -19.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -199.419165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.419165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.419165 (E_RNA)
where:
Base-Base interactions energy: -128.744
where: short stacking energy: -60.625
Base-Backbone interact. energy: -0.636
local terms energy: -70.038794
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -15.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -190.476670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.476670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.476670 (E_RNA)
where:
Base-Base interactions energy: -130.571
where: short stacking energy: -59.315
Base-Backbone interact. energy: -0.010
local terms energy: -59.895903
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -11.855
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: 1
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -191.143626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.143626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.143626 (E_RNA)
where:
Base-Base interactions energy: -138.779
where: short stacking energy: -50.173
Base-Backbone interact. energy: -0.031
local terms energy: -52.334203
where:
bonds (distance) C4'-P energy: -9.478
bonds (distance) P-C4' energy: -8.178
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -7.461
tors. eta vs tors. theta energy: -13.682
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: 101
Temperature: 1.200000
Total energy: -195.466954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.466954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.466954 (E_RNA)
where:
Base-Base interactions energy: -134.231
where: short stacking energy: -54.843
Base-Backbone interact. energy: -0.002
local terms energy: -61.234225
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -13.305
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: 7
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -178.880949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.880949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.880949 (E_RNA)
where:
Base-Base interactions energy: -115.140
where: short stacking energy: -56.546
Base-Backbone interact. energy: -0.093
local terms energy: -63.648130
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -11.144
flat angles P-C4'-P energy: -7.776
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: 9, replica: 2
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -147.729121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.729121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.729121 (E_RNA)
where:
Base-Base interactions energy: -96.602
where: short stacking energy: -35.863
Base-Backbone interact. energy: -0.530
local terms energy: -50.597163
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -12.318
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -5.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -74.127199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.127199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.127199 (E_RNA)
where:
Base-Base interactions energy: -40.800
where: short stacking energy: -25.852
Base-Backbone interact. energy: -0.167
local terms energy: -33.159644
where:
bonds (distance) C4'-P energy: -9.139
bonds (distance) P-C4' energy: -9.118
flat angles C4'-P-C4' energy: -8.803
flat angles P-C4'-P energy: -6.196
tors. eta vs tors. theta energy: 0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -210.899026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.899026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.899026 (E_RNA)
where:
Base-Base interactions energy: -144.036
where: short stacking energy: -51.616
Base-Backbone interact. energy: -0.689
local terms energy: -66.173950
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -10.468
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: 2, replica: 4
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -209.829242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.829242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.829242 (E_RNA)
where:
Base-Base interactions energy: -140.108
where: short stacking energy: -68.012
Base-Backbone interact. energy: -0.280
local terms energy: -69.441406
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -17.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -203.053117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.053117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.053117 (E_RNA)
where:
Base-Base interactions energy: -133.895
where: short stacking energy: -57.108
Base-Backbone interact. energy: 0.008
local terms energy: -69.166601
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -16.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -207.526421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.526421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.526421 (E_RNA)
where:
Base-Base interactions energy: -135.238
where: short stacking energy: -60.008
Base-Backbone interact. energy: -0.786
local terms energy: -71.502190
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -16.007
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -17.951
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: 5, replica: 1
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -197.818871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.818871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.818871 (E_RNA)
where:
Base-Base interactions energy: -144.268
where: short stacking energy: -54.056
Base-Backbone interact. energy: -0.602
local terms energy: -52.948367
where:
bonds (distance) C4'-P energy: -7.371
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -5.540
tors. eta vs tors. theta energy: -15.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -187.086129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.086129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.086129 (E_RNA)
where:
Base-Base interactions energy: -122.239
where: short stacking energy: -51.280
Base-Backbone interact. energy: -0.030
local terms energy: -64.817344
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -15.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -186.020860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.020860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.020860 (E_RNA)
where:
Base-Base interactions energy: -129.687
where: short stacking energy: -57.809
Base-Backbone interact. energy: -0.006
local terms energy: -56.327726
where:
bonds (distance) C4'-P energy: -7.837
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -13.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -178.044686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.044686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.044686 (E_RNA)
where:
Base-Base interactions energy: -124.336
where: short stacking energy: -48.441
Base-Backbone interact. energy: -0.052
local terms energy: -53.656802
where:
bonds (distance) C4'-P energy: -8.094
bonds (distance) P-C4' energy: -13.404
flat angles C4'-P-C4' energy: -10.118
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -11.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -176.398847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.398847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.398847 (E_RNA)
where:
Base-Base interactions energy: -119.914
where: short stacking energy: -53.342
Base-Backbone interact. energy: -0.310
local terms energy: -56.174221
where:
bonds (distance) C4'-P energy: -8.721
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -3.695
tors. eta vs tors. theta energy: -18.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -70.170239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.170239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.170239 (E_RNA)
where:
Base-Base interactions energy: -34.253
where: short stacking energy: -33.344
Base-Backbone interact. energy: -0.018
local terms energy: -35.899421
where:
bonds (distance) C4'-P energy: -5.210
bonds (distance) P-C4' energy: -10.917
flat angles C4'-P-C4' energy: -5.405
flat angles P-C4'-P energy: -6.478
tors. eta vs tors. theta energy: -7.889
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: 1, replica: 3
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -217.599745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.599745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.599745 (E_RNA)
where:
Base-Base interactions energy: -150.473
where: short stacking energy: -60.063
Base-Backbone interact. energy: -0.890
local terms energy: -66.236246
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -15.879
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: 10
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -202.500697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.500697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.500697 (E_RNA)
where:
Base-Base interactions energy: -141.443
where: short stacking energy: -54.872
Base-Backbone interact. energy: -0.102
local terms energy: -60.956369
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -12.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -210.084322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.084322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.084322 (E_RNA)
where:
Base-Base interactions energy: -141.884
where: short stacking energy: -68.116
Base-Backbone interact. energy: -0.211
local terms energy: -67.988977
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -18.297
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: 5
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -200.831457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.831457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.831457 (E_RNA)
where:
Base-Base interactions energy: -132.145
where: short stacking energy: -57.294
Base-Backbone interact. energy: -0.097
local terms energy: -68.588835
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -17.247
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: 5, replica: 1
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -192.287049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.287049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.287049 (E_RNA)
where:
Base-Base interactions energy: -134.764
where: short stacking energy: -58.713
Base-Backbone interact. energy: -0.774
local terms energy: -56.748835
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -8.033
flat angles P-C4'-P energy: -3.824
tors. eta vs tors. theta energy: -17.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -198.687598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.687598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.687598 (E_RNA)
where:
Base-Base interactions energy: -136.674
where: short stacking energy: -59.968
Base-Backbone interact. energy: -0.002
local terms energy: -62.011885
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -10.114
flat angles P-C4'-P energy: -7.565
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: 7, replica: 9
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -197.236044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.236044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.236044 (E_RNA)
where:
Base-Base interactions energy: -137.782
where: short stacking energy: -61.146
Base-Backbone interact. energy: 0.350
local terms energy: -59.803478
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -10.441
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -15.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -196.379909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.379909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.379909 (E_RNA)
where:
Base-Base interactions energy: -135.791
where: short stacking energy: -56.223
Base-Backbone interact. energy: -0.002
local terms energy: -60.587469
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -12.279
flat angles C4'-P-C4' energy: -11.635
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: -16.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -166.389272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.389272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.389272 (E_RNA)
where:
Base-Base interactions energy: -112.408
where: short stacking energy: -46.894
Base-Backbone interact. energy: -0.592
local terms energy: -53.389260
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -9.295
flat angles C4'-P-C4' energy: -9.654
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -15.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -67.713839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.713839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.713839 (E_RNA)
where:
Base-Base interactions energy: -23.557
where: short stacking energy: -18.664
Base-Backbone interact. energy: -0.078
local terms energy: -44.078663
where:
bonds (distance) C4'-P energy: -7.250
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -11.328
flat angles P-C4'-P energy: -6.724
tors. eta vs tors. theta energy: -4.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -214.060035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.060035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.060035 (E_RNA)
where:
Base-Base interactions energy: -140.953
where: short stacking energy: -63.078
Base-Backbone interact. energy: -0.001
local terms energy: -73.106191
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -10.578
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: 2, replica: 3
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -207.723698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.723698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.723698 (E_RNA)
where:
Base-Base interactions energy: -147.912
where: short stacking energy: -61.804
Base-Backbone interact. energy: -0.092
local terms energy: -59.719552
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -13.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -212.758834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.758834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.758834 (E_RNA)
where:
Base-Base interactions energy: -141.815
where: short stacking energy: -61.933
Base-Backbone interact. energy: -2.066
local terms energy: -68.877655
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -11.444
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -17.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -191.190260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.190260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.190260 (E_RNA)
where:
Base-Base interactions energy: -124.034
where: short stacking energy: -56.238
Base-Backbone interact. energy: -0.000
local terms energy: -67.155817
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -11.852
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -14.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -204.994633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.994633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.994633 (E_RNA)
where:
Base-Base interactions energy: -139.089
where: short stacking energy: -63.328
Base-Backbone interact. energy: -0.002
local terms energy: -65.904181
where:
bonds (distance) C4'-P energy: -8.103
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -17.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -184.524388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.524388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.524388 (E_RNA)
where:
Base-Base interactions energy: -129.095
where: short stacking energy: -42.571
Base-Backbone interact. energy: -0.663
local terms energy: -54.765921
where:
bonds (distance) C4'-P energy: -10.222
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: -11.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -189.863564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.863564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.863564 (E_RNA)
where:
Base-Base interactions energy: -124.214
where: short stacking energy: -53.729
Base-Backbone interact. energy: -0.001
local terms energy: -65.647799
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -16.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -185.553590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.553590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.553590 (E_RNA)
where:
Base-Base interactions energy: -125.534
where: short stacking energy: -53.505
Base-Backbone interact. energy: -0.785
local terms energy: -59.234836
where:
bonds (distance) C4'-P energy: -11.212
bonds (distance) P-C4' energy: -11.502
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -15.143
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: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -83.679815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.679815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.679815 (E_RNA)
where:
Base-Base interactions energy: -36.268
where: short stacking energy: -36.268
Base-Backbone interact. energy: -0.003
local terms energy: -47.409378
where:
bonds (distance) C4'-P energy: -10.612
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -1.398
tors. eta vs tors. theta energy: -10.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -167.756396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.756396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.756396 (E_RNA)
where:
Base-Base interactions energy: -105.372
where: short stacking energy: -51.960
Base-Backbone interact. energy: -0.016
local terms energy: -62.368514
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -10.210
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -13.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -216.935479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.935479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.935479 (E_RNA)
where:
Base-Base interactions energy: -147.689
where: short stacking energy: -73.418
Base-Backbone interact. energy: -0.002
local terms energy: -69.243887
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -10.691
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -19.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -209.504752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.504752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.504752 (E_RNA)
where:
Base-Base interactions energy: -141.770
where: short stacking energy: -69.142
Base-Backbone interact. energy: -1.246
local terms energy: -66.489272
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -17.874
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: 105
Temperature: 1.000000
Total energy: -203.489600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.489600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.489600 (E_RNA)
where:
Base-Base interactions energy: -148.863
where: short stacking energy: -61.148
Base-Backbone interact. energy: -0.049
local terms energy: -54.577874
where:
bonds (distance) C4'-P energy: -9.487
bonds (distance) P-C4' energy: -11.388
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -12.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -199.808332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.808332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.808332 (E_RNA)
where:
Base-Base interactions energy: -139.963
where: short stacking energy: -57.052
Base-Backbone interact. energy: 0.245
local terms energy: -60.090662
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -9.489
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -14.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -191.002960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.002960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.002960 (E_RNA)
where:
Base-Base interactions energy: -132.593
where: short stacking energy: -63.587
Base-Backbone interact. energy: -0.000
local terms energy: -58.409746
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -11.786
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: -15.633
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: 9
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -197.511848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.511848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.511848 (E_RNA)
where:
Base-Base interactions energy: -134.982
where: short stacking energy: -58.828
Base-Backbone interact. energy: -0.028
local terms energy: -62.501052
where:
bonds (distance) C4'-P energy: -10.129
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -16.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -185.520148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.520148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.520148 (E_RNA)
where:
Base-Base interactions energy: -130.403
where: short stacking energy: -58.211
Base-Backbone interact. energy: -0.550
local terms energy: -54.566978
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -7.518
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -12.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -188.676841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.676841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.676841 (E_RNA)
where:
Base-Base interactions energy: -126.630
where: short stacking energy: -57.323
Base-Backbone interact. energy: -0.030
local terms energy: -62.017091
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -10.123
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -16.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -73.420119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.420119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.420119 (E_RNA)
where:
Base-Base interactions energy: -28.988
where: short stacking energy: -28.297
Base-Backbone interact. energy: -1.201
local terms energy: -43.231676
where:
bonds (distance) C4'-P energy: -7.470
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -7.629
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -3.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -169.536709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.536709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.536709 (E_RNA)
where:
Base-Base interactions energy: -113.571
where: short stacking energy: -50.383
Base-Backbone interact. energy: -0.094
local terms energy: -55.872076
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -6.628
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -12.788
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: 3
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -210.205604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.205604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.205604 (E_RNA)
where:
Base-Base interactions energy: -139.485
where: short stacking energy: -63.677
Base-Backbone interact. energy: 0.326
local terms energy: -71.046743
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -20.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -202.003023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.003023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.003023 (E_RNA)
where:
Base-Base interactions energy: -138.005
where: short stacking energy: -56.920
Base-Backbone interact. energy: -0.098
local terms energy: -63.899528
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -15.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -200.714204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.714204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.714204 (E_RNA)
where:
Base-Base interactions energy: -139.137
where: short stacking energy: -60.081
Base-Backbone interact. energy: -0.543
local terms energy: -61.034219
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -10.974
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -14.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -193.863005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.863005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.863005 (E_RNA)
where:
Base-Base interactions energy: -132.066
where: short stacking energy: -55.472
Base-Backbone interact. energy: -0.088
local terms energy: -61.708591
where:
bonds (distance) C4'-P energy: -10.648
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -14.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -199.241403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.241403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.241403 (E_RNA)
where:
Base-Base interactions energy: -141.980
where: short stacking energy: -60.306
Base-Backbone interact. energy: -0.099
local terms energy: -57.162372
where:
bonds (distance) C4'-P energy: -9.286
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -4.395
tors. eta vs tors. theta energy: -16.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -190.443964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.443964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.443964 (E_RNA)
where:
Base-Base interactions energy: -128.109
where: short stacking energy: -56.386
Base-Backbone interact. energy: -0.010
local terms energy: -62.325735
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: -16.254
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: 106
Temperature: 1.200000
Total energy: -183.467646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.467646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.467646 (E_RNA)
where:
Base-Base interactions energy: -128.040
where: short stacking energy: -55.010
Base-Backbone interact. energy: -0.020
local terms energy: -55.406730
where:
bonds (distance) C4'-P energy: -5.078
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -7.286
tors. eta vs tors. theta energy: -15.793
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: 1
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -187.748823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.748823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.748823 (E_RNA)
where:
Base-Base interactions energy: -134.228
where: short stacking energy: -62.484
Base-Backbone interact. energy: -0.328
local terms energy: -53.193149
where:
bonds (distance) C4'-P energy: -9.690
bonds (distance) P-C4' energy: -10.985
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -4.719
tors. eta vs tors. theta energy: -14.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -84.722928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.722928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.722928 (E_RNA)
where:
Base-Base interactions energy: -40.257
where: short stacking energy: -39.321
Base-Backbone interact. energy: 0.083
local terms energy: -44.549200
where:
bonds (distance) C4'-P energy: -8.162
bonds (distance) P-C4' energy: -9.875
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: -6.129
tors. eta vs tors. theta energy: -9.943
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: 8
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -73.043474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.043474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.043474 (E_RNA)
where:
Base-Base interactions energy: -29.473
where: short stacking energy: -12.407
Base-Backbone interact. energy: -1.077
local terms energy: -42.493749
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -7.965
flat angles P-C4'-P energy: -10.944
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: 3
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -216.940023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.940023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.940023 (E_RNA)
where:
Base-Base interactions energy: -147.088
where: short stacking energy: -66.492
Base-Backbone interact. energy: -1.318
local terms energy: -68.534418
where:
bonds (distance) C4'-P energy: -10.435
bonds (distance) P-C4' energy: -14.171
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -18.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -205.962405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.962405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.962405 (E_RNA)
where:
Base-Base interactions energy: -139.908
where: short stacking energy: -66.263
Base-Backbone interact. energy: 0.211
local terms energy: -66.265365
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -12.921
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -17.536
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: 107
Temperature: 1.000000
Total energy: -200.742429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.742429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.742429 (E_RNA)
where:
Base-Base interactions energy: -138.250
where: short stacking energy: -60.906
Base-Backbone interact. energy: -0.308
local terms energy: -62.185009
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -14.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -195.792320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.792320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.792320 (E_RNA)
where:
Base-Base interactions energy: -131.627
where: short stacking energy: -63.468
Base-Backbone interact. energy: -0.013
local terms energy: -64.151774
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -10.953
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -18.960
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: 5, replica: 5
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -178.468690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.468690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.468690 (E_RNA)
where:
Base-Base interactions energy: -113.820
where: short stacking energy: -48.857
Base-Backbone interact. energy: -0.234
local terms energy: -64.415154
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -13.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -191.193121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.193121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.193121 (E_RNA)
where:
Base-Base interactions energy: -128.833
where: short stacking energy: -57.613
Base-Backbone interact. energy: -0.051
local terms energy: -62.309355
where:
bonds (distance) C4'-P energy: -9.198
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -15.891
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: 2
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -192.482400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.482400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.482400 (E_RNA)
where:
Base-Base interactions energy: -132.287
where: short stacking energy: -57.338
Base-Backbone interact. energy: -0.290
local terms energy: -59.905426
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -9.845
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -14.508
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: 1
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -186.640976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.640976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.640976 (E_RNA)
where:
Base-Base interactions energy: -127.092
where: short stacking energy: -52.686
Base-Backbone interact. energy: -0.035
local terms energy: -59.514048
where:
bonds (distance) C4'-P energy: -7.251
bonds (distance) P-C4' energy: -12.034
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -14.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -111.250028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.250028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.250028 (E_RNA)
where:
Base-Base interactions energy: -63.748
where: short stacking energy: -34.696
Base-Backbone interact. energy: -1.039
local terms energy: -46.463427
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -11.039
flat angles P-C4'-P energy: -3.331
tors. eta vs tors. theta energy: -5.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -67.705503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.705503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.705503 (E_RNA)
where:
Base-Base interactions energy: -26.152
where: short stacking energy: -24.885
Base-Backbone interact. energy: 1.181
local terms energy: -42.735021
where:
bonds (distance) C4'-P energy: -6.794
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -3.747
tors. eta vs tors. theta energy: -7.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -207.863859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.863859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.863859 (E_RNA)
where:
Base-Base interactions energy: -140.240
where: short stacking energy: -52.387
Base-Backbone interact. energy: -0.028
local terms energy: -67.596425
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -14.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -208.470547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.470547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.470547 (E_RNA)
where:
Base-Base interactions energy: -140.500
where: short stacking energy: -62.668
Base-Backbone interact. energy: -0.478
local terms energy: -67.492322
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -15.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -214.266038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.266038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.266038 (E_RNA)
where:
Base-Base interactions energy: -144.881
where: short stacking energy: -64.689
Base-Backbone interact. energy: -2.168
local terms energy: -67.216961
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -10.700
flat angles C4'-P-C4' energy: -12.744
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -18.129
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: 10
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -198.653714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.653714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.653714 (E_RNA)
where:
Base-Base interactions energy: -133.250
where: short stacking energy: -64.074
Base-Backbone interact. energy: -0.099
local terms energy: -65.304526
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -15.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -198.203139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.203139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.203139 (E_RNA)
where:
Base-Base interactions energy: -142.706
where: short stacking energy: -55.934
Base-Backbone interact. energy: -0.003
local terms energy: -55.493588
where:
bonds (distance) C4'-P energy: -9.086
bonds (distance) P-C4' energy: -9.830
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -16.282
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: 5
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -196.130172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.130172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.130172 (E_RNA)
where:
Base-Base interactions energy: -134.774
where: short stacking energy: -58.348
Base-Backbone interact. energy: -0.012
local terms energy: -61.344138
where:
bonds (distance) C4'-P energy: -10.893
bonds (distance) P-C4' energy: -11.858
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -16.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -200.310259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.310259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.310259 (E_RNA)
where:
Base-Base interactions energy: -136.793
where: short stacking energy: -62.492
Base-Backbone interact. energy: -0.428
local terms energy: -63.088533
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -16.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -176.306453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.306453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.306453 (E_RNA)
where:
Base-Base interactions energy: -114.525
where: short stacking energy: -49.661
Base-Backbone interact. energy: -0.611
local terms energy: -61.171025
where:
bonds (distance) C4'-P energy: -10.364
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -12.816
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: 8
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -78.063099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.063099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.063099 (E_RNA)
where:
Base-Base interactions energy: -30.948
where: short stacking energy: -26.697
Base-Backbone interact. energy: -0.068
local terms energy: -47.047576
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -10.697
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -6.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -88.978770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.978770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.978770 (E_RNA)
where:
Base-Base interactions energy: -50.632
where: short stacking energy: -25.677
Base-Backbone interact. energy: 0.052
local terms energy: -38.398935
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -6.897
flat angles P-C4'-P energy: -7.110
tors. eta vs tors. theta energy: 1.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -216.939413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.939413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.939413 (E_RNA)
where:
Base-Base interactions energy: -145.272
where: short stacking energy: -66.479
Base-Backbone interact. energy: -1.783
local terms energy: -69.885231
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -11.900
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -17.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -205.907131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.907131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.907131 (E_RNA)
where:
Base-Base interactions energy: -144.923
where: short stacking energy: -67.816
Base-Backbone interact. energy: -0.201
local terms energy: -60.782747
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -10.671
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -5.162
tors. eta vs tors. theta energy: -17.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -207.343700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.343700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.343700 (E_RNA)
where:
Base-Base interactions energy: -140.932
where: short stacking energy: -57.097
Base-Backbone interact. energy: -0.007
local terms energy: -66.404081
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -9.770
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: 4
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -203.817386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.817386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.817386 (E_RNA)
where:
Base-Base interactions energy: -136.824
where: short stacking energy: -65.197
Base-Backbone interact. energy: -0.000
local terms energy: -66.993444
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -10.579
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -18.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -198.520679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.520679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.520679 (E_RNA)
where:
Base-Base interactions energy: -134.892
where: short stacking energy: -59.237
Base-Backbone interact. energy: -0.006
local terms energy: -63.622876
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -10.903
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -10.026
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: 5
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -194.514712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.514712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.514712 (E_RNA)
where:
Base-Base interactions energy: -128.841
where: short stacking energy: -47.528
Base-Backbone interact. energy: 0.010
local terms energy: -65.684313
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -11.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -189.031695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.031695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.031695 (E_RNA)
where:
Base-Base interactions energy: -128.507
where: short stacking energy: -52.765
Base-Backbone interact. energy: -0.226
local terms energy: -60.298826
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -13.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -185.432184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.432184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.432184 (E_RNA)
where:
Base-Base interactions energy: -120.096
where: short stacking energy: -50.926
Base-Backbone interact. energy: -0.002
local terms energy: -65.334434
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -16.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -73.120321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.120321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.120321 (E_RNA)
where:
Base-Base interactions energy: -31.351
where: short stacking energy: -29.616
Base-Backbone interact. energy: -0.006
local terms energy: -41.762909
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -11.712
flat angles C4'-P-C4' energy: -6.478
flat angles P-C4'-P energy: -6.234
tors. eta vs tors. theta energy: -4.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -68.342825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.342825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.342825 (E_RNA)
where:
Base-Base interactions energy: -24.465
where: short stacking energy: -24.465
Base-Backbone interact. energy: -0.104
local terms energy: -43.773342
where:
bonds (distance) C4'-P energy: -8.700
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -9.531
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -4.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -215.165327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.165327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.165327 (E_RNA)
where:
Base-Base interactions energy: -148.120
where: short stacking energy: -72.811
Base-Backbone interact. energy: -1.181
local terms energy: -65.864370
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -19.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -212.073628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.073628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.073628 (E_RNA)
where:
Base-Base interactions energy: -147.283
where: short stacking energy: -62.904
Base-Backbone interact. energy: -0.383
local terms energy: -64.408044
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -12.239
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -13.823
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: 3, replica: 4
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -203.818054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.818054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.818054 (E_RNA)
where:
Base-Base interactions energy: -140.322
where: short stacking energy: -62.485
Base-Backbone interact. energy: -0.041
local terms energy: -63.455037
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -8.836
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -10.484
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: 4, replica: 6
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -202.681910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.681910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.681910 (E_RNA)
where:
Base-Base interactions energy: -141.504
where: short stacking energy: -59.809
Base-Backbone interact. energy: -0.001
local terms energy: -61.177190
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -8.451
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -16.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -198.172372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.172372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.172372 (E_RNA)
where:
Base-Base interactions energy: -135.276
where: short stacking energy: -62.812
Base-Backbone interact. energy: -0.001
local terms energy: -62.895165
where:
bonds (distance) C4'-P energy: -9.417
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -17.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -189.724142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.724142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.724142 (E_RNA)
where:
Base-Base interactions energy: -132.812
where: short stacking energy: -57.041
Base-Backbone interact. energy: -0.145
local terms energy: -56.766732
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -11.211
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: -13.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -189.340857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.340857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.340857 (E_RNA)
where:
Base-Base interactions energy: -132.477
where: short stacking energy: -51.069
Base-Backbone interact. energy: -0.048
local terms energy: -56.816203
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -10.589
flat angles C4'-P-C4' energy: -11.642
flat angles P-C4'-P energy: -7.168
tors. eta vs tors. theta energy: -16.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -163.941976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.941976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.941976 (E_RNA)
where:
Base-Base interactions energy: -109.904
where: short stacking energy: -39.493
Base-Backbone interact. energy: -0.258
local terms energy: -53.779901
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -9.536
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: 8
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -94.810450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.810450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.810450 (E_RNA)
where:
Base-Base interactions energy: -57.766
where: short stacking energy: -21.652
Base-Backbone interact. energy: -0.219
local terms energy: -36.825018
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -9.962
flat angles C4'-P-C4' energy: -4.432
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -2.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -67.328569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.328569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.328569 (E_RNA)
where:
Base-Base interactions energy: -22.002
where: short stacking energy: -20.652
Base-Backbone interact. energy: -0.188
local terms energy: -45.138704
where:
bonds (distance) C4'-P energy: -8.315
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -4.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -215.703148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.703148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.703148 (E_RNA)
where:
Base-Base interactions energy: -148.400
where: short stacking energy: -70.484
Base-Backbone interact. energy: -0.096
local terms energy: -67.207210
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -11.179
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -18.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -208.813149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.813149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.813149 (E_RNA)
where:
Base-Base interactions energy: -139.360
where: short stacking energy: -68.354
Base-Backbone interact. energy: 0.345
local terms energy: -69.797449
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -18.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -207.086523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.086523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.086523 (E_RNA)
where:
Base-Base interactions energy: -148.586
where: short stacking energy: -54.386
Base-Backbone interact. energy: -0.816
local terms energy: -57.684769
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -9.431
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -11.635
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: 111
Temperature: 1.050000
Total energy: -201.066174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.066174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.066174 (E_RNA)
where:
Base-Base interactions energy: -137.641
where: short stacking energy: -49.268
Base-Backbone interact. energy: -0.106
local terms energy: -63.319262
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -11.826
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -14.945
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: 6
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -198.943040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.943040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.943040 (E_RNA)
where:
Base-Base interactions energy: -127.820
where: short stacking energy: -60.125
Base-Backbone interact. energy: -0.010
local terms energy: -71.113047
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -20.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -197.937834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.937834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.937834 (E_RNA)
where:
Base-Base interactions energy: -136.267
where: short stacking energy: -60.227
Base-Backbone interact. energy: -0.000
local terms energy: -61.670146
where:
bonds (distance) C4'-P energy: -9.721
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -16.894
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: 7, replica: 10
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -168.066979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.066979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.066979 (E_RNA)
where:
Base-Base interactions energy: -113.961
where: short stacking energy: -44.642
Base-Backbone interact. energy: -0.117
local terms energy: -53.989126
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -11.557
flat angles C4'-P-C4' energy: -11.195
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -7.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -169.708641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.708641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.708641 (E_RNA)
where:
Base-Base interactions energy: -117.838
where: short stacking energy: -55.140
Base-Backbone interact. energy: 0.522
local terms energy: -52.391817
where:
bonds (distance) C4'-P energy: -6.464
bonds (distance) P-C4' energy: -10.002
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -14.251
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: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -78.370773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.370773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.370773 (E_RNA)
where:
Base-Base interactions energy: -33.156
where: short stacking energy: -27.070
Base-Backbone interact. energy: -0.350
local terms energy: -44.864558
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -9.430
flat angles P-C4'-P energy: -5.507
tors. eta vs tors. theta energy: -4.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -65.918605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.918605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.918605 (E_RNA)
where:
Base-Base interactions energy: -24.794
where: short stacking energy: -22.478
Base-Backbone interact. energy: 0.317
local terms energy: -41.441166
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -6.261
flat angles P-C4'-P energy: -4.664
tors. eta vs tors. theta energy: 0.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -211.799494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.799494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.799494 (E_RNA)
where:
Base-Base interactions energy: -140.214
where: short stacking energy: -66.132
Base-Backbone interact. energy: -1.554
local terms energy: -70.031125
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -5.888
tors. eta vs tors. theta energy: -19.574
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: 9
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -210.696061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.696061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.696061 (E_RNA)
where:
Base-Base interactions energy: -147.618
where: short stacking energy: -68.516
Base-Backbone interact. energy: -0.822
local terms energy: -62.255589
where:
bonds (distance) C4'-P energy: -9.714
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -6.643
tors. eta vs tors. theta energy: -17.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -201.672746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.672746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.672746 (E_RNA)
where:
Base-Base interactions energy: -131.914
where: short stacking energy: -57.481
Base-Backbone interact. energy: -0.057
local terms energy: -69.701791
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -11.638
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: 4, replica: 5
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -196.245795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.245795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.245795 (E_RNA)
where:
Base-Base interactions energy: -138.731
where: short stacking energy: -57.394
Base-Backbone interact. energy: -0.131
local terms energy: -57.383306
where:
bonds (distance) C4'-P energy: -8.220
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: -12.674
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: 1
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -199.101024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.101024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.101024 (E_RNA)
where:
Base-Base interactions energy: -133.054
where: short stacking energy: -67.247
Base-Backbone interact. energy: -0.036
local terms energy: -66.011551
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -11.121
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -16.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -194.358375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.358375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.358375 (E_RNA)
where:
Base-Base interactions energy: -134.567
where: short stacking energy: -65.147
Base-Backbone interact. energy: -0.157
local terms energy: -59.634093
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -10.908
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -8.956
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: 7, replica: 2
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -180.705428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.705428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.705428 (E_RNA)
where:
Base-Base interactions energy: -117.234
where: short stacking energy: -55.875
Base-Backbone interact. energy: -0.092
local terms energy: -63.380153
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -12.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -180.066823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.066823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.066823 (E_RNA)
where:
Base-Base interactions energy: -125.352
where: short stacking energy: -53.507
Base-Backbone interact. energy: -0.002
local terms energy: -54.712404
where:
bonds (distance) C4'-P energy: -9.891
bonds (distance) P-C4' energy: -11.237
flat angles C4'-P-C4' energy: -11.348
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -12.230
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: 7
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -70.997982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.997982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.997982 (E_RNA)
where:
Base-Base interactions energy: -28.877
where: short stacking energy: -24.910
Base-Backbone interact. energy: -0.015
local terms energy: -42.106054
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -8.035
flat angles P-C4'-P energy: -2.673
tors. eta vs tors. theta energy: -7.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -72.314467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.314467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.314467 (E_RNA)
where:
Base-Base interactions energy: -28.343
where: short stacking energy: -26.418
Base-Backbone interact. energy: 1.106
local terms energy: -45.077153
where:
bonds (distance) C4'-P energy: -9.511
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -6.827
tors. eta vs tors. theta energy: -0.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -211.749365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.749365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.749365 (E_RNA)
where:
Base-Base interactions energy: -141.725
where: short stacking energy: -67.741
Base-Backbone interact. energy: -0.001
local terms energy: -70.023792
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -18.499
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: 113
Temperature: 0.950000
Total energy: -205.187681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.187681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.187681 (E_RNA)
where:
Base-Base interactions energy: -136.993
where: short stacking energy: -64.860
Base-Backbone interact. energy: -0.293
local terms energy: -67.901549
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -12.059
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -16.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -201.978370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.978370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.978370 (E_RNA)
where:
Base-Base interactions energy: -140.172
where: short stacking energy: -68.699
Base-Backbone interact. energy: -0.157
local terms energy: -61.649132
where:
bonds (distance) C4'-P energy: -6.753
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -9.813
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: 4, replica: 1
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -206.305639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.305639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.305639 (E_RNA)
where:
Base-Base interactions energy: -138.215
where: short stacking energy: -63.932
Base-Backbone interact. energy: -0.290
local terms energy: -67.799868
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -18.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -194.824260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.824260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.824260 (E_RNA)
where:
Base-Base interactions energy: -138.871
where: short stacking energy: -61.389
Base-Backbone interact. energy: -0.675
local terms energy: -55.278071
where:
bonds (distance) C4'-P energy: -5.072
bonds (distance) P-C4' energy: -10.281
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -14.552
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: 6
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -196.083937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.083937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.083937 (E_RNA)
where:
Base-Base interactions energy: -131.815
where: short stacking energy: -56.780
Base-Backbone interact. energy: -0.689
local terms energy: -63.580225
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -10.156
flat angles P-C4'-P energy: -9.330
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: 2
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -171.956928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.956928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.956928 (E_RNA)
where:
Base-Base interactions energy: -121.053
where: short stacking energy: -57.807
Base-Backbone interact. energy: -0.001
local terms energy: -50.903261
where:
bonds (distance) C4'-P energy: -7.796
bonds (distance) P-C4' energy: -8.396
flat angles C4'-P-C4' energy: -12.303
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -14.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -191.859065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.859065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.859065 (E_RNA)
where:
Base-Base interactions energy: -126.978
where: short stacking energy: -52.834
Base-Backbone interact. energy: -0.146
local terms energy: -64.735480
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -13.995
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: 7
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -75.008974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.008974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.008974 (E_RNA)
where:
Base-Base interactions energy: -26.781
where: short stacking energy: -26.781
Base-Backbone interact. energy: -0.193
local terms energy: -48.034743
where:
bonds (distance) C4'-P energy: -11.112
bonds (distance) P-C4' energy: -11.330
flat angles C4'-P-C4' energy: -9.756
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -7.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -71.290053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.290053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.290053 (E_RNA)
where:
Base-Base interactions energy: -34.168
where: short stacking energy: -12.542
Base-Backbone interact. energy: -0.481
local terms energy: -36.640627
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -9.897
flat angles C4'-P-C4' energy: -8.419
flat angles P-C4'-P energy: -8.551
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: 1, replica: 3
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -211.523340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.523340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.523340 (E_RNA)
where:
Base-Base interactions energy: -141.849
where: short stacking energy: -67.175
Base-Backbone interact. energy: -0.241
local terms energy: -69.433897
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -17.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -209.632895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.632895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.632895 (E_RNA)
where:
Base-Base interactions energy: -143.869
where: short stacking energy: -67.727
Base-Backbone interact. energy: -0.045
local terms energy: -65.718907
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -16.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -214.372922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.372922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.372922 (E_RNA)
where:
Base-Base interactions energy: -146.352
where: short stacking energy: -61.039
Base-Backbone interact. energy: -0.001
local terms energy: -68.020090
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -12.725
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -16.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -210.356629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.356629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.356629 (E_RNA)
where:
Base-Base interactions energy: -147.337
where: short stacking energy: -59.139
Base-Backbone interact. energy: 0.221
local terms energy: -63.240728
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -14.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -197.914272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.914272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.914272 (E_RNA)
where:
Base-Base interactions energy: -134.016
where: short stacking energy: -59.599
Base-Backbone interact. energy: -0.289
local terms energy: -63.610131
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -15.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -196.199689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.199689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.199689 (E_RNA)
where:
Base-Base interactions energy: -133.675
where: short stacking energy: -52.982
Base-Backbone interact. energy: -0.065
local terms energy: -62.459890
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -10.943
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -15.412
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: 10
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -187.219839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.219839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.219839 (E_RNA)
where:
Base-Base interactions energy: -128.811
where: short stacking energy: -58.795
Base-Backbone interact. energy: -0.045
local terms energy: -58.363541
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -12.133
flat angles C4'-P-C4' energy: -12.774
flat angles P-C4'-P energy: -5.169
tors. eta vs tors. theta energy: -16.250
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: 2
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -179.692685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.692685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.692685 (E_RNA)
where:
Base-Base interactions energy: -117.263
where: short stacking energy: -49.980
Base-Backbone interact. energy: -0.053
local terms energy: -62.377489
where:
bonds (distance) C4'-P energy: -10.491
bonds (distance) P-C4' energy: -10.569
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -14.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -77.056373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.056373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.056373 (E_RNA)
where:
Base-Base interactions energy: -34.840
where: short stacking energy: -34.840
Base-Backbone interact. energy: -0.056
local terms energy: -42.160560
where:
bonds (distance) C4'-P energy: -3.847
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -5.425
tors. eta vs tors. theta energy: -7.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -75.212167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.212167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.212167 (E_RNA)
where:
Base-Base interactions energy: -30.160
where: short stacking energy: -30.160
Base-Backbone interact. energy: -0.071
local terms energy: -44.980699
where:
bonds (distance) C4'-P energy: -8.914
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -7.364
tors. eta vs tors. theta energy: -3.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -213.521192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.521192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.521192 (E_RNA)
where:
Base-Base interactions energy: -139.615
where: short stacking energy: -66.157
Base-Backbone interact. energy: -0.111
local terms energy: -73.795743
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -20.541
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: 1
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -205.660925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.660925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.660925 (E_RNA)
where:
Base-Base interactions energy: -141.156
where: short stacking energy: -62.953
Base-Backbone interact. energy: -0.263
local terms energy: -64.241870
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -18.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -209.563210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.563210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.563210 (E_RNA)
where:
Base-Base interactions energy: -138.634
where: short stacking energy: -65.234
Base-Backbone interact. energy: -0.039
local terms energy: -70.890294
where:
bonds (distance) C4'-P energy: -11.134
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -18.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -199.251441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.251441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.251441 (E_RNA)
where:
Base-Base interactions energy: -133.133
where: short stacking energy: -60.641
Base-Backbone interact. energy: -0.670
local terms energy: -65.447949
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -6.678
tors. eta vs tors. theta energy: -17.227
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: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -194.093590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.093590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.093590 (E_RNA)
where:
Base-Base interactions energy: -135.540
where: short stacking energy: -53.843
Base-Backbone interact. energy: 0.155
local terms energy: -58.708509
where:
bonds (distance) C4'-P energy: -11.172
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -12.230
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: 10
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -191.620271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.620271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.620271 (E_RNA)
where:
Base-Base interactions energy: -135.305
where: short stacking energy: -61.838
Base-Backbone interact. energy: -0.057
local terms energy: -56.257562
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -11.212
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -2.828
tors. eta vs tors. theta energy: -16.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -187.644130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.644130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.644130 (E_RNA)
where:
Base-Base interactions energy: -127.732
where: short stacking energy: -47.423
Base-Backbone interact. energy: 0.419
local terms energy: -60.331070
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -10.573
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -12.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -182.149804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.149804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.149804 (E_RNA)
where:
Base-Base interactions energy: -126.666
where: short stacking energy: -49.062
Base-Backbone interact. energy: -0.076
local terms energy: -55.406934
where:
bonds (distance) C4'-P energy: -10.825
bonds (distance) P-C4' energy: -11.413
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -7.548
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: 9, replica: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -77.876331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.876331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.876331 (E_RNA)
where:
Base-Base interactions energy: -32.756
where: short stacking energy: -32.756
Base-Backbone interact. energy: -0.103
local terms energy: -45.016888
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -8.883
flat angles P-C4'-P energy: -3.675
tors. eta vs tors. theta energy: -2.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -83.370087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.370087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.370087 (E_RNA)
where:
Base-Base interactions energy: -32.127
where: short stacking energy: -32.127
Base-Backbone interact. energy: -0.191
local terms energy: -51.052362
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -7.307
tors. eta vs tors. theta energy: -9.347
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: 1
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -214.844112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.844112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.844112 (E_RNA)
where:
Base-Base interactions energy: -147.326
where: short stacking energy: -66.478
Base-Backbone interact. energy: 0.599
local terms energy: -68.116902
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -17.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -208.023995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.023995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.023995 (E_RNA)
where:
Base-Base interactions energy: -134.847
where: short stacking energy: -63.526
Base-Backbone interact. energy: -0.471
local terms energy: -72.705868
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -19.141
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: 9
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -205.190777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.190777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.190777 (E_RNA)
where:
Base-Base interactions energy: -140.196
where: short stacking energy: -56.345
Base-Backbone interact. energy: -0.539
local terms energy: -64.455935
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -15.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -202.334047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.334047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.334047 (E_RNA)
where:
Base-Base interactions energy: -133.039
where: short stacking energy: -55.899
Base-Backbone interact. energy: -0.885
local terms energy: -68.410314
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -10.579
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -15.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -193.071169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.071169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.071169 (E_RNA)
where:
Base-Base interactions energy: -130.474
where: short stacking energy: -60.209
Base-Backbone interact. energy: -0.001
local terms energy: -62.595547
where:
bonds (distance) C4'-P energy: -8.281
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -16.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -194.651665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.651665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.651665 (E_RNA)
where:
Base-Base interactions energy: -134.349
where: short stacking energy: -65.009
Base-Backbone interact. energy: -0.042
local terms energy: -60.260794
where:
bonds (distance) C4'-P energy: -4.315
bonds (distance) P-C4' energy: -10.958
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -19.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -200.165282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.165282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.165282 (E_RNA)
where:
Base-Base interactions energy: -140.153
where: short stacking energy: -61.833
Base-Backbone interact. energy: -0.034
local terms energy: -59.978747
where:
bonds (distance) C4'-P energy: -7.266
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -6.018
tors. eta vs tors. theta energy: -17.361
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: 2
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -195.247123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.247123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.247123 (E_RNA)
where:
Base-Base interactions energy: -131.910
where: short stacking energy: -60.981
Base-Backbone interact. energy: -0.298
local terms energy: -63.039277
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -12.074
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -17.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -74.653876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.653876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.653876 (E_RNA)
where:
Base-Base interactions energy: -28.575
where: short stacking energy: -28.575
Base-Backbone interact. energy: -0.020
local terms energy: -46.059257
where:
bonds (distance) C4'-P energy: -9.325
bonds (distance) P-C4' energy: -7.666
flat angles C4'-P-C4' energy: -11.234
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -7.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -65.923585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.923585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.923585 (E_RNA)
where:
Base-Base interactions energy: -25.503
where: short stacking energy: -25.503
Base-Backbone interact. energy: -0.092
local terms energy: -40.328826
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -10.356
flat angles C4'-P-C4' energy: -6.293
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -1.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -216.015110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.015110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.015110 (E_RNA)
where:
Base-Base interactions energy: -145.649
where: short stacking energy: -70.635
Base-Backbone interact. energy: -0.903
local terms energy: -69.463082
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -12.769
tors. eta vs tors. theta energy: -20.232
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: 3
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -213.434431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.434431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.434431 (E_RNA)
where:
Base-Base interactions energy: -139.496
where: short stacking energy: -65.739
Base-Backbone interact. energy: -0.284
local terms energy: -73.654125
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -19.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -205.838476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.838476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.838476 (E_RNA)
where:
Base-Base interactions energy: -137.864
where: short stacking energy: -58.792
Base-Backbone interact. energy: -0.474
local terms energy: -67.500663
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -10.844
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: 4, replica: 10
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -197.815102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.815102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.815102 (E_RNA)
where:
Base-Base interactions energy: -139.641
where: short stacking energy: -53.167
Base-Backbone interact. energy: -0.089
local terms energy: -58.085327
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -3.954
tors. eta vs tors. theta energy: -13.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -196.707516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.707516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.707516 (E_RNA)
where:
Base-Base interactions energy: -136.007
where: short stacking energy: -66.248
Base-Backbone interact. energy: -0.285
local terms energy: -60.415575
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -11.883
flat angles C4'-P-C4' energy: -11.265
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: -15.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -202.574123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.574123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.574123 (E_RNA)
where:
Base-Base interactions energy: -134.905
where: short stacking energy: -54.370
Base-Backbone interact. energy: -0.003
local terms energy: -67.665464
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -17.388
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: 6
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -201.022525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.022525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.022525 (E_RNA)
where:
Base-Base interactions energy: -133.115
where: short stacking energy: -54.558
Base-Backbone interact. energy: 0.699
local terms energy: -68.606261
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -18.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -180.113186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.113186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.113186 (E_RNA)
where:
Base-Base interactions energy: -122.050
where: short stacking energy: -54.685
Base-Backbone interact. energy: -0.193
local terms energy: -57.870012
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -11.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -71.650925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.650925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.650925 (E_RNA)
where:
Base-Base interactions energy: -31.127
where: short stacking energy: -30.426
Base-Backbone interact. energy: -0.400
local terms energy: -40.123602
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -9.704
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: 0.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -84.143332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.143332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.143332 (E_RNA)
where:
Base-Base interactions energy: -39.715
where: short stacking energy: -39.715
Base-Backbone interact. energy: -0.147
local terms energy: -44.280991
where:
bonds (distance) C4'-P energy: -5.830
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -6.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -218.112258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.112258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.112258 (E_RNA)
where:
Base-Base interactions energy: -140.148
where: short stacking energy: -62.715
Base-Backbone interact. energy: -0.006
local terms energy: -77.958301
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -20.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -206.604407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.604407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.604407 (E_RNA)
where:
Base-Base interactions energy: -136.404
where: short stacking energy: -64.148
Base-Backbone interact. energy: -0.607
local terms energy: -69.593053
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -18.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -207.108758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.108758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.108758 (E_RNA)
where:
Base-Base interactions energy: -139.996
where: short stacking energy: -61.749
Base-Backbone interact. energy: 0.038
local terms energy: -67.151091
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -17.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -202.609152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.609152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.609152 (E_RNA)
where:
Base-Base interactions energy: -139.327
where: short stacking energy: -56.461
Base-Backbone interact. energy: -0.079
local terms energy: -63.203475
where:
bonds (distance) C4'-P energy: -8.720
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -16.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -186.788829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.788829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.788829 (E_RNA)
where:
Base-Base interactions energy: -131.614
where: short stacking energy: -51.709
Base-Backbone interact. energy: -0.105
local terms energy: -55.069310
where:
bonds (distance) C4'-P energy: -11.179
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -5.374
tors. eta vs tors. theta energy: -13.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -193.830551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.830551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.830551 (E_RNA)
where:
Base-Base interactions energy: -136.800
where: short stacking energy: -51.303
Base-Backbone interact. energy: -0.427
local terms energy: -56.603048
where:
bonds (distance) C4'-P energy: -10.350
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -12.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -192.674046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.674046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.674046 (E_RNA)
where:
Base-Base interactions energy: -134.717
where: short stacking energy: -52.439
Base-Backbone interact. energy: -0.158
local terms energy: -57.798557
where:
bonds (distance) C4'-P energy: -7.887
bonds (distance) P-C4' energy: -10.022
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -15.257
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: 6
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -185.285455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.285455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.285455 (E_RNA)
where:
Base-Base interactions energy: -132.738
where: short stacking energy: -51.196
Base-Backbone interact. energy: -0.056
local terms energy: -52.492002
where:
bonds (distance) C4'-P energy: -9.979
bonds (distance) P-C4' energy: -12.568
flat angles C4'-P-C4' energy: -9.002
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -13.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -73.442716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.442716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.442716 (E_RNA)
where:
Base-Base interactions energy: -23.728
where: short stacking energy: -20.933
Base-Backbone interact. energy: -0.008
local terms energy: -49.706842
where:
bonds (distance) C4'-P energy: -10.572
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -5.203
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: 7
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -70.328031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.328031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.328031 (E_RNA)
where:
Base-Base interactions energy: -24.062
where: short stacking energy: -24.062
Base-Backbone interact. energy: -0.751
local terms energy: -45.515153
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -11.019
flat angles P-C4'-P energy: -4.440
tors. eta vs tors. theta energy: -3.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -212.895377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.895377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.895377 (E_RNA)
where:
Base-Base interactions energy: -141.068
where: short stacking energy: -64.362
Base-Backbone interact. energy: -0.004
local terms energy: -71.823496
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -18.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -209.093946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.093946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.093946 (E_RNA)
where:
Base-Base interactions energy: -138.580
where: short stacking energy: -62.967
Base-Backbone interact. energy: -0.023
local terms energy: -70.491209
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -18.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -203.617580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.617580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.617580 (E_RNA)
where:
Base-Base interactions energy: -136.012
where: short stacking energy: -65.522
Base-Backbone interact. energy: -0.416
local terms energy: -67.190017
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -11.532
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: 4, replica: 5
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -206.369737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.369737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.369737 (E_RNA)
where:
Base-Base interactions energy: -144.698
where: short stacking energy: -69.290
Base-Backbone interact. energy: -0.599
local terms energy: -61.071913
where:
bonds (distance) C4'-P energy: -9.540
bonds (distance) P-C4' energy: -11.523
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -18.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -193.628721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.628721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.628721 (E_RNA)
where:
Base-Base interactions energy: -132.231
where: short stacking energy: -54.336
Base-Backbone interact. energy: -0.158
local terms energy: -61.239470
where:
bonds (distance) C4'-P energy: -11.614
bonds (distance) P-C4' energy: -12.450
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -12.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -193.814070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.814070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.814070 (E_RNA)
where:
Base-Base interactions energy: -136.945
where: short stacking energy: -58.493
Base-Backbone interact. energy: -0.361
local terms energy: -56.507388
where:
bonds (distance) C4'-P energy: -9.241
bonds (distance) P-C4' energy: -11.034
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -13.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -179.651659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.651659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.651659 (E_RNA)
where:
Base-Base interactions energy: -123.068
where: short stacking energy: -51.383
Base-Backbone interact. energy: 0.429
local terms energy: -57.011984
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -10.102
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -6.167
tors. eta vs tors. theta energy: -12.566
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: 8, replica: 8
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -83.133544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.133544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.133544 (E_RNA)
where:
Base-Base interactions energy: -35.811
where: short stacking energy: -23.839
Base-Backbone interact. energy: -0.126
local terms energy: -47.196911
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -8.432
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -2.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -190.003878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.003878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.003878 (E_RNA)
where:
Base-Base interactions energy: -125.830
where: short stacking energy: -58.772
Base-Backbone interact. energy: -0.195
local terms energy: -63.978074
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -15.854
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: 7
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -71.268146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.268146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.268146 (E_RNA)
where:
Base-Base interactions energy: -34.957
where: short stacking energy: -34.159
Base-Backbone interact. energy: -0.416
local terms energy: -35.894872
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -3.956
flat angles P-C4'-P energy: -4.727
tors. eta vs tors. theta energy: -4.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -206.534952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.534952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.534952 (E_RNA)
where:
Base-Base interactions energy: -136.411
where: short stacking energy: -64.781
Base-Backbone interact. energy: -0.100
local terms energy: -70.024332
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -17.066
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: 1
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -211.149243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.149243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.149243 (E_RNA)
where:
Base-Base interactions energy: -142.284
where: short stacking energy: -67.061
Base-Backbone interact. energy: -1.199
local terms energy: -67.666020
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -19.226
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: 5
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -204.090512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.090512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.090512 (E_RNA)
where:
Base-Base interactions energy: -138.587
where: short stacking energy: -59.088
Base-Backbone interact. energy: -2.045
local terms energy: -63.457842
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -15.391
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: 4, replica: 10
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -202.023488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.023488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.023488 (E_RNA)
where:
Base-Base interactions energy: -137.565
where: short stacking energy: -64.312
Base-Backbone interact. energy: -1.451
local terms energy: -63.007069
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -10.468
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -17.314
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: 4
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -209.844720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.844720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.844720 (E_RNA)
where:
Base-Base interactions energy: -145.189
where: short stacking energy: -60.658
Base-Backbone interact. energy: -0.062
local terms energy: -64.593113
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -10.348
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -18.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -200.824271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.824271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.824271 (E_RNA)
where:
Base-Base interactions energy: -134.052
where: short stacking energy: -55.057
Base-Backbone interact. energy: -0.013
local terms energy: -66.759755
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -13.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -200.761911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.761911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.761911 (E_RNA)
where:
Base-Base interactions energy: -136.707
where: short stacking energy: -63.875
Base-Backbone interact. energy: 0.755
local terms energy: -64.809840
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -16.613
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: 8
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -89.457522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.457522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.457522 (E_RNA)
where:
Base-Base interactions energy: -43.526
where: short stacking energy: -39.868
Base-Backbone interact. energy: -0.072
local terms energy: -45.859415
where:
bonds (distance) C4'-P energy: -4.807
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -11.460
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -11.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -180.897045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.897045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.897045 (E_RNA)
where:
Base-Base interactions energy: -124.269
where: short stacking energy: -53.602
Base-Backbone interact. energy: -0.121
local terms energy: -56.506297
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -9.686
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -11.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -76.642177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.642177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.642177 (E_RNA)
where:
Base-Base interactions energy: -37.259
where: short stacking energy: -33.266
Base-Backbone interact. energy: 0.862
local terms energy: -40.244370
where:
bonds (distance) C4'-P energy: -10.537
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -11.170
flat angles P-C4'-P energy: -5.315
tors. eta vs tors. theta energy: -1.143
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: 3
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -214.012362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.012362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.012362 (E_RNA)
where:
Base-Base interactions energy: -143.948
where: short stacking energy: -66.664
Base-Backbone interact. energy: -0.129
local terms energy: -69.935429
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -18.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -211.077952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.077952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.077952 (E_RNA)
where:
Base-Base interactions energy: -143.658
where: short stacking energy: -68.556
Base-Backbone interact. energy: -0.007
local terms energy: -67.413247
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -12.450
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -18.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -207.036825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.036825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.036825 (E_RNA)
where:
Base-Base interactions energy: -136.713
where: short stacking energy: -61.162
Base-Backbone interact. energy: -1.889
local terms energy: -68.434697
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -18.699
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: 4
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -204.539616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.539616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.539616 (E_RNA)
where:
Base-Base interactions energy: -138.506
where: short stacking energy: -65.936
Base-Backbone interact. energy: -0.000
local terms energy: -66.033655
where:
bonds (distance) C4'-P energy: -9.653
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -18.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -190.988322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.988322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.988322 (E_RNA)
where:
Base-Base interactions energy: -129.427
where: short stacking energy: -58.219
Base-Backbone interact. energy: -0.152
local terms energy: -61.408835
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -7.945
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: 6, replica: 2
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -192.340768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.340768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.340768 (E_RNA)
where:
Base-Base interactions energy: -134.808
where: short stacking energy: -59.961
Base-Backbone interact. energy: -0.002
local terms energy: -57.530005
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -10.502
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -11.904
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: 7, replica: 9
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -185.655513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.655513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.655513 (E_RNA)
where:
Base-Base interactions energy: -139.673
where: short stacking energy: -55.641
Base-Backbone interact. energy: -0.009
local terms energy: -45.973750
where:
bonds (distance) C4'-P energy: -8.313
bonds (distance) P-C4' energy: -10.148
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -5.576
tors. eta vs tors. theta energy: -7.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -184.446429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.446429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.446429 (E_RNA)
where:
Base-Base interactions energy: -127.123
where: short stacking energy: -52.092
Base-Backbone interact. energy: 0.062
local terms energy: -57.385337
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -9.740
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -14.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -80.663649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.663649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.663649 (E_RNA)
where:
Base-Base interactions energy: -35.655
where: short stacking energy: -35.655
Base-Backbone interact. energy: 0.614
local terms energy: -45.622769
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -7.701
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: -6.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -63.043913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.043913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.043913 (E_RNA)
where:
Base-Base interactions energy: -27.469
where: short stacking energy: -21.953
Base-Backbone interact. energy: -0.142
local terms energy: -35.433177
where:
bonds (distance) C4'-P energy: -9.796
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -10.305
flat angles P-C4'-P energy: -1.098
tors. eta vs tors. theta energy: -2.484
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: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -207.583951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.583951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.583951 (E_RNA)
where:
Base-Base interactions energy: -138.328
where: short stacking energy: -65.171
Base-Backbone interact. energy: -1.152
local terms energy: -68.103755
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -17.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -204.920001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.920001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.920001 (E_RNA)
where:
Base-Base interactions energy: -135.974
where: short stacking energy: -58.508
Base-Backbone interact. energy: -0.007
local terms energy: -68.939314
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -17.905
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: 5
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -208.121860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.121860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.121860 (E_RNA)
where:
Base-Base interactions energy: -139.033
where: short stacking energy: -60.229
Base-Backbone interact. energy: -0.239
local terms energy: -68.850748
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -12.008
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -18.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -202.909538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.909538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.909538 (E_RNA)
where:
Base-Base interactions energy: -137.021
where: short stacking energy: -60.958
Base-Backbone interact. energy: -1.452
local terms energy: -64.436717
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -16.759
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: 122
Temperature: 1.100000
Total energy: -195.790960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.790960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.790960 (E_RNA)
where:
Base-Base interactions energy: -134.670
where: short stacking energy: -58.336
Base-Backbone interact. energy: -0.345
local terms energy: -60.775959
where:
bonds (distance) C4'-P energy: -11.439
bonds (distance) P-C4' energy: -12.251
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -14.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -188.598415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.598415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.598415 (E_RNA)
where:
Base-Base interactions energy: -133.535
where: short stacking energy: -61.113
Base-Backbone interact. energy: -0.339
local terms energy: -54.724401
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -7.927
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -13.937
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: 9
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -192.064923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.064923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.064923 (E_RNA)
where:
Base-Base interactions energy: -129.530
where: short stacking energy: -60.047
Base-Backbone interact. energy: -0.631
local terms energy: -61.904863
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -10.013
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -17.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -176.048578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.048578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.048578 (E_RNA)
where:
Base-Base interactions energy: -120.155
where: short stacking energy: -46.973
Base-Backbone interact. energy: -0.648
local terms energy: -55.245341
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -9.444
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -12.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -73.201933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.201933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.201933 (E_RNA)
where:
Base-Base interactions energy: -30.921
where: short stacking energy: -24.470
Base-Backbone interact. energy: -0.277
local terms energy: -42.003830
where:
bonds (distance) C4'-P energy: -9.081
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -6.122
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -3.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -83.695164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.695164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.695164 (E_RNA)
where:
Base-Base interactions energy: -32.581
where: short stacking energy: -22.962
Base-Backbone interact. energy: -0.347
local terms energy: -50.767160
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -11.258
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -10.112
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: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -210.126605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.126605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.126605 (E_RNA)
where:
Base-Base interactions energy: -140.427
where: short stacking energy: -61.496
Base-Backbone interact. energy: -0.644
local terms energy: -69.056133
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -17.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -213.490466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.490466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.490466 (E_RNA)
where:
Base-Base interactions energy: -142.801
where: short stacking energy: -67.421
Base-Backbone interact. energy: -0.001
local terms energy: -70.688734
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -10.881
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -19.684
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: 3
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -205.915346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.915346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.915346 (E_RNA)
where:
Base-Base interactions energy: -135.604
where: short stacking energy: -64.815
Base-Backbone interact. energy: -0.052
local terms energy: -70.259418
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -17.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -199.438439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.438439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.438439 (E_RNA)
where:
Base-Base interactions energy: -135.074
where: short stacking energy: -58.804
Base-Backbone interact. energy: -0.001
local terms energy: -64.363348
where:
bonds (distance) C4'-P energy: -7.039
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -17.371
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: 10
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -201.561171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.561171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.561171 (E_RNA)
where:
Base-Base interactions energy: -144.708
where: short stacking energy: -55.754
Base-Backbone interact. energy: -0.139
local terms energy: -56.714397
where:
bonds (distance) C4'-P energy: -6.856
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -14.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -185.301870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.301870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.301870 (E_RNA)
where:
Base-Base interactions energy: -123.483
where: short stacking energy: -54.181
Base-Backbone interact. energy: -0.171
local terms energy: -61.647900
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -14.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -189.183875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.183875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.183875 (E_RNA)
where:
Base-Base interactions energy: -125.498
where: short stacking energy: -59.246
Base-Backbone interact. energy: -0.001
local terms energy: -63.684853
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -11.673
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -16.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -153.421452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.421452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.421452 (E_RNA)
where:
Base-Base interactions energy: -105.350
where: short stacking energy: -39.775
Base-Backbone interact. energy: -0.094
local terms energy: -47.977578
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -7.164
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -5.669
tors. eta vs tors. theta energy: -9.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -73.260557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.260557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.260557 (E_RNA)
where:
Base-Base interactions energy: -31.702
where: short stacking energy: -31.702
Base-Backbone interact. energy: -0.215
local terms energy: -41.343716
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -8.984
flat angles P-C4'-P energy: 1.409
tors. eta vs tors. theta energy: -5.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -75.963572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.963572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.963572 (E_RNA)
where:
Base-Base interactions energy: -26.270
where: short stacking energy: -26.270
Base-Backbone interact. energy: -0.117
local terms energy: -49.576244
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -3.306
tors. eta vs tors. theta energy: -5.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -208.174577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.174577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.174577 (E_RNA)
where:
Base-Base interactions energy: -138.492
where: short stacking energy: -59.586
Base-Backbone interact. energy: -0.003
local terms energy: -69.679304
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -18.213
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: 2, replica: 5
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -210.730386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.730386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.730386 (E_RNA)
where:
Base-Base interactions energy: -144.367
where: short stacking energy: -68.678
Base-Backbone interact. energy: -1.659
local terms energy: -64.704415
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -10.951
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -7.152
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: 3, replica: 4
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -206.240835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.240835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.240835 (E_RNA)
where:
Base-Base interactions energy: -143.602
where: short stacking energy: -54.164
Base-Backbone interact. energy: -0.086
local terms energy: -62.552304
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -11.487
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -11.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -199.387696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.387696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.387696 (E_RNA)
where:
Base-Base interactions energy: -140.043
where: short stacking energy: -65.933
Base-Backbone interact. energy: -0.135
local terms energy: -59.210418
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -7.549
tors. eta vs tors. theta energy: -15.305
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: 5, replica: 10
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -200.411250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.411250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.411250 (E_RNA)
where:
Base-Base interactions energy: -130.935
where: short stacking energy: -62.267
Base-Backbone interact. energy: -0.082
local terms energy: -69.393941
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -18.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -191.965811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.965811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.965811 (E_RNA)
where:
Base-Base interactions energy: -132.794
where: short stacking energy: -56.626
Base-Backbone interact. energy: 0.017
local terms energy: -59.187895
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -10.750
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -15.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -170.139379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.139379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.139379 (E_RNA)
where:
Base-Base interactions energy: -115.313
where: short stacking energy: -49.118
Base-Backbone interact. energy: -0.876
local terms energy: -53.950596
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -11.897
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -2.851
tors. eta vs tors. theta energy: -13.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -187.646233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.646233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.646233 (E_RNA)
where:
Base-Base interactions energy: -130.644
where: short stacking energy: -54.803
Base-Backbone interact. energy: -0.791
local terms energy: -56.211066
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -9.946
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -13.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -76.710163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.710163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.710163 (E_RNA)
where:
Base-Base interactions energy: -30.190
where: short stacking energy: -25.707
Base-Backbone interact. energy: 0.682
local terms energy: -47.201857
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -8.755
flat angles P-C4'-P energy: -8.529
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: 7
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -72.252337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.252337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.252337 (E_RNA)
where:
Base-Base interactions energy: -28.902
where: short stacking energy: -23.613
Base-Backbone interact. energy: -0.267
local terms energy: -43.084217
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -10.227
flat angles P-C4'-P energy: -4.807
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: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -215.824219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.824219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.824219 (E_RNA)
where:
Base-Base interactions energy: -145.803
where: short stacking energy: -63.660
Base-Backbone interact. energy: -0.000
local terms energy: -70.021387
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -17.276
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: 2, replica: 4
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -210.263734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.263734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.263734 (E_RNA)
where:
Base-Base interactions energy: -145.191
where: short stacking energy: -62.292
Base-Backbone interact. energy: -0.331
local terms energy: -64.741652
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: -14.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -207.657965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.657965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.657965 (E_RNA)
where:
Base-Base interactions energy: -137.020
where: short stacking energy: -62.381
Base-Backbone interact. energy: -0.000
local terms energy: -70.637166
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -19.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -211.574579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.574579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.574579 (E_RNA)
where:
Base-Base interactions energy: -147.105
where: short stacking energy: -64.854
Base-Backbone interact. energy: -0.146
local terms energy: -64.324077
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: -17.115
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: 3
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -192.627604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.627604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.627604 (E_RNA)
where:
Base-Base interactions energy: -136.921
where: short stacking energy: -57.350
Base-Backbone interact. energy: -0.427
local terms energy: -55.279316
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -8.861
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -13.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -192.641035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.641035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.641035 (E_RNA)
where:
Base-Base interactions energy: -135.827
where: short stacking energy: -56.538
Base-Backbone interact. energy: -0.102
local terms energy: -56.711617
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -12.340
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -5.721
tors. eta vs tors. theta energy: -14.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -185.713349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.713349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.713349 (E_RNA)
where:
Base-Base interactions energy: -127.121
where: short stacking energy: -55.956
Base-Backbone interact. energy: -0.632
local terms energy: -57.960571
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -10.276
flat angles C4'-P-C4' energy: -9.436
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -12.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -161.733404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.733404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.733404 (E_RNA)
where:
Base-Base interactions energy: -110.591
where: short stacking energy: -55.886
Base-Backbone interact. energy: -0.105
local terms energy: -51.037967
where:
bonds (distance) C4'-P energy: -5.670
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -10.559
flat angles P-C4'-P energy: -5.593
tors. eta vs tors. theta energy: -14.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -84.215983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.215983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.215983 (E_RNA)
where:
Base-Base interactions energy: -37.185
where: short stacking energy: -19.627
Base-Backbone interact. energy: -0.460
local terms energy: -46.570291
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -2.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -66.186000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.186000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.186000 (E_RNA)
where:
Base-Base interactions energy: -27.574
where: short stacking energy: -21.844
Base-Backbone interact. energy: -0.093
local terms energy: -38.519183
where:
bonds (distance) C4'-P energy: -6.406
bonds (distance) P-C4' energy: -10.648
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -4.446
tors. eta vs tors. theta energy: -2.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -215.013919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.013919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.013919 (E_RNA)
where:
Base-Base interactions energy: -143.074
where: short stacking energy: -66.911
Base-Backbone interact. energy: -0.158
local terms energy: -71.782343
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -19.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -212.709634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.709634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.709634 (E_RNA)
where:
Base-Base interactions energy: -151.102
where: short stacking energy: -66.295
Base-Backbone interact. energy: -0.014
local terms energy: -61.594109
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -11.116
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -14.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -206.708286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.708286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.708286 (E_RNA)
where:
Base-Base interactions energy: -142.192
where: short stacking energy: -66.370
Base-Backbone interact. energy: -0.249
local terms energy: -64.267422
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -15.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -201.246166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.246166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.246166 (E_RNA)
where:
Base-Base interactions energy: -140.804
where: short stacking energy: -61.042
Base-Backbone interact. energy: -0.635
local terms energy: -59.806580
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -8.622
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -15.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -200.808192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.808192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.808192 (E_RNA)
where:
Base-Base interactions energy: -137.153
where: short stacking energy: -53.585
Base-Backbone interact. energy: -0.003
local terms energy: -63.651908
where:
bonds (distance) C4'-P energy: -9.200
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -15.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -194.295072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.295072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.295072 (E_RNA)
where:
Base-Base interactions energy: -130.604
where: short stacking energy: -62.664
Base-Backbone interact. energy: -0.314
local terms energy: -63.376551
where:
bonds (distance) C4'-P energy: -9.271
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -15.085
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: 7, replica: 2
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -177.580466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.580466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.580466 (E_RNA)
where:
Base-Base interactions energy: -118.294
where: short stacking energy: -49.560
Base-Backbone interact. energy: -0.105
local terms energy: -59.181770
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -8.933
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: 9
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -192.906368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.906368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.906368 (E_RNA)
where:
Base-Base interactions energy: -132.751
where: short stacking energy: -59.363
Base-Backbone interact. energy: -1.402
local terms energy: -58.753000
where:
bonds (distance) C4'-P energy: -11.170
bonds (distance) P-C4' energy: -12.238
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -5.978
tors. eta vs tors. theta energy: -17.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -67.710742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.710742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.710742 (E_RNA)
where:
Base-Base interactions energy: -21.502
where: short stacking energy: -18.187
Base-Backbone interact. energy: -0.770
local terms energy: -45.439341
where:
bonds (distance) C4'-P energy: -9.639
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -6.434
tors. eta vs tors. theta energy: -5.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -83.178428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.178428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.178428 (E_RNA)
where:
Base-Base interactions energy: -39.959
where: short stacking energy: -27.876
Base-Backbone interact. energy: -0.014
local terms energy: -43.205234
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -6.396
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -2.690
tors. eta vs tors. theta energy: -9.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -214.187402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.187402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.187402 (E_RNA)
where:
Base-Base interactions energy: -142.026
where: short stacking energy: -61.065
Base-Backbone interact. energy: -0.001
local terms energy: -72.160522
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -18.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -211.255533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.255533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.255533 (E_RNA)
where:
Base-Base interactions energy: -138.682
where: short stacking energy: -65.521
Base-Backbone interact. energy: -1.476
local terms energy: -71.097648
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -20.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -201.294717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.294717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.294717 (E_RNA)
where:
Base-Base interactions energy: -134.491
where: short stacking energy: -59.348
Base-Backbone interact. energy: -0.024
local terms energy: -66.779717
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -16.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -197.106316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.106316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.106316 (E_RNA)
where:
Base-Base interactions energy: -130.669
where: short stacking energy: -56.166
Base-Backbone interact. energy: 0.227
local terms energy: -66.664567
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -15.491
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: 127
Temperature: 1.100000
Total energy: -196.081577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.081577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.081577 (E_RNA)
where:
Base-Base interactions energy: -139.452
where: short stacking energy: -58.855
Base-Backbone interact. energy: -0.027
local terms energy: -56.602542
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -11.356
flat angles C4'-P-C4' energy: -8.880
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -12.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -185.211210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.211210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.211210 (E_RNA)
where:
Base-Base interactions energy: -127.122
where: short stacking energy: -52.470
Base-Backbone interact. energy: -0.093
local terms energy: -57.995715
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -11.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -186.624266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.624266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.624266 (E_RNA)
where:
Base-Base interactions energy: -126.807
where: short stacking energy: -45.489
Base-Backbone interact. energy: -1.247
local terms energy: -58.570086
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -12.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -178.127530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.127530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.127530 (E_RNA)
where:
Base-Base interactions energy: -123.802
where: short stacking energy: -50.184
Base-Backbone interact. energy: -0.043
local terms energy: -54.283208
where:
bonds (distance) C4'-P energy: -8.034
bonds (distance) P-C4' energy: -12.714
flat angles C4'-P-C4' energy: -10.386
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -15.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -79.788598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.788598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.788598 (E_RNA)
where:
Base-Base interactions energy: -36.796
where: short stacking energy: -22.937
Base-Backbone interact. energy: -0.372
local terms energy: -42.620867
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: 2.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -79.464176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.464176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.464176 (E_RNA)
where:
Base-Base interactions energy: -29.915
where: short stacking energy: -24.117
Base-Backbone interact. energy: -0.005
local terms energy: -49.544531
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -9.054
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -5.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -209.296888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.296888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.296888 (E_RNA)
where:
Base-Base interactions energy: -142.174
where: short stacking energy: -61.938
Base-Backbone interact. energy: -0.003
local terms energy: -67.119846
where:
bonds (distance) C4'-P energy: -10.289
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -16.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -204.095213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.095213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.095213 (E_RNA)
where:
Base-Base interactions energy: -145.405
where: short stacking energy: -54.882
Base-Backbone interact. energy: -0.100
local terms energy: -58.589556
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -10.598
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -15.452
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: 5
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -202.782831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.782831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.782831 (E_RNA)
where:
Base-Base interactions energy: -138.969
where: short stacking energy: -60.679
Base-Backbone interact. energy: -0.014
local terms energy: -63.799284
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -12.201
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -16.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -201.508126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.508126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.508126 (E_RNA)
where:
Base-Base interactions energy: -136.720
where: short stacking energy: -62.808
Base-Backbone interact. energy: -0.594
local terms energy: -64.194169
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -6.072
tors. eta vs tors. theta energy: -17.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -189.229717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.229717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.229717 (E_RNA)
where:
Base-Base interactions energy: -130.925
where: short stacking energy: -58.698
Base-Backbone interact. energy: -0.110
local terms energy: -58.194774
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -10.849
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -11.075
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: 6, replica: 3
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -196.650251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.650251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.650251 (E_RNA)
where:
Base-Base interactions energy: -138.294
where: short stacking energy: -65.199
Base-Backbone interact. energy: -0.007
local terms energy: -58.348704
where:
bonds (distance) C4'-P energy: -10.357
bonds (distance) P-C4' energy: -10.803
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -5.420
tors. eta vs tors. theta energy: -17.914
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: 9
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -187.060277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.060277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.060277 (E_RNA)
where:
Base-Base interactions energy: -121.932
where: short stacking energy: -48.753
Base-Backbone interact. energy: -0.050
local terms energy: -65.078578
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -5.995
tors. eta vs tors. theta energy: -16.616
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: 2
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -180.581511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.581511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.581511 (E_RNA)
where:
Base-Base interactions energy: -126.716
where: short stacking energy: -52.093
Base-Backbone interact. energy: 0.264
local terms energy: -54.129840
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -10.511
flat angles P-C4'-P energy: -5.091
tors. eta vs tors. theta energy: -15.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -74.671085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.671085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.671085 (E_RNA)
where:
Base-Base interactions energy: -32.199
where: short stacking energy: -22.070
Base-Backbone interact. energy: 1.067
local terms energy: -43.539439
where:
bonds (distance) C4'-P energy: -9.962
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: -0.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -72.300637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.300637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.300637 (E_RNA)
where:
Base-Base interactions energy: -22.726
where: short stacking energy: -23.709
Base-Backbone interact. energy: -0.081
local terms energy: -49.493886
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -8.310
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -4.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -211.076481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.076481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.076481 (E_RNA)
where:
Base-Base interactions energy: -144.584
where: short stacking energy: -67.767
Base-Backbone interact. energy: -0.020
local terms energy: -66.472749
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -16.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -208.226284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.226284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.226284 (E_RNA)
where:
Base-Base interactions energy: -139.376
where: short stacking energy: -61.616
Base-Backbone interact. energy: -0.127
local terms energy: -68.723590
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -17.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -207.948541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.948541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.948541 (E_RNA)
where:
Base-Base interactions energy: -136.656
where: short stacking energy: -68.217
Base-Backbone interact. energy: -0.072
local terms energy: -71.220014
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -19.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -201.726418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.726418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.726418 (E_RNA)
where:
Base-Base interactions energy: -141.040
where: short stacking energy: -54.487
Base-Backbone interact. energy: -0.017
local terms energy: -60.669288
where:
bonds (distance) C4'-P energy: -8.616
bonds (distance) P-C4' energy: -13.049
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -13.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -205.269125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.269125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.269125 (E_RNA)
where:
Base-Base interactions energy: -143.079
where: short stacking energy: -67.802
Base-Backbone interact. energy: -0.642
local terms energy: -61.547926
where:
bonds (distance) C4'-P energy: -10.924
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -5.180
tors. eta vs tors. theta energy: -18.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -193.832575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.832575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.832575 (E_RNA)
where:
Base-Base interactions energy: -138.973
where: short stacking energy: -58.149
Base-Backbone interact. energy: -0.038
local terms energy: -54.821190
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -0.059
tors. eta vs tors. theta energy: -16.739
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: 3
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -191.102471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.102471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.102471 (E_RNA)
where:
Base-Base interactions energy: -122.669
where: short stacking energy: -50.423
Base-Backbone interact. energy: -0.560
local terms energy: -67.873340
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -14.376
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: 8, replica: 2
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -170.557277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.557277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.557277 (E_RNA)
where:
Base-Base interactions energy: -117.396
where: short stacking energy: -48.816
Base-Backbone interact. energy: -0.072
local terms energy: -53.088902
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -11.383
flat angles C4'-P-C4' energy: -11.267
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -10.410
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: 8
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -71.696332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.696332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.696332 (E_RNA)
where:
Base-Base interactions energy: -25.636
where: short stacking energy: -25.636
Base-Backbone interact. energy: 1.784
local terms energy: -47.843799
where:
bonds (distance) C4'-P energy: -7.616
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -6.652
tors. eta vs tors. theta energy: -6.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -71.651093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.651093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.651093 (E_RNA)
where:
Base-Base interactions energy: -33.867
where: short stacking energy: -31.929
Base-Backbone interact. energy: -0.193
local terms energy: -37.591013
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -7.182
flat angles C4'-P-C4' energy: -5.499
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -0.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -208.197050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.197050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.197050 (E_RNA)
where:
Base-Base interactions energy: -143.141
where: short stacking energy: -66.815
Base-Backbone interact. energy: -0.169
local terms energy: -64.887255
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -4.485
tors. eta vs tors. theta energy: -18.330
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: 10
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -206.225791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.225791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.225791 (E_RNA)
where:
Base-Base interactions energy: -142.520
where: short stacking energy: -61.389
Base-Backbone interact. energy: -1.726
local terms energy: -61.980140
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -11.171
flat angles P-C4'-P energy: -7.457
tors. eta vs tors. theta energy: -18.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -207.896685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.896685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.896685 (E_RNA)
where:
Base-Base interactions energy: -142.443
where: short stacking energy: -57.220
Base-Backbone interact. energy: -1.689
local terms energy: -63.764894
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -14.732
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: 4, replica: 5
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -201.745388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.745388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.745388 (E_RNA)
where:
Base-Base interactions energy: -143.122
where: short stacking energy: -65.897
Base-Backbone interact. energy: -0.004
local terms energy: -58.619800
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -11.128
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -5.220
tors. eta vs tors. theta energy: -17.561
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: 9
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -205.154628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.154628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.154628 (E_RNA)
where:
Base-Base interactions energy: -133.461
where: short stacking energy: -58.004
Base-Backbone interact. energy: -0.157
local terms energy: -71.536730
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -16.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -191.669849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.669849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.669849 (E_RNA)
where:
Base-Base interactions energy: -131.326
where: short stacking energy: -57.444
Base-Backbone interact. energy: -0.038
local terms energy: -60.305345
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -6.566
tors. eta vs tors. theta energy: -14.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -173.873010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.873010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.873010 (E_RNA)
where:
Base-Base interactions energy: -122.684
where: short stacking energy: -50.259
Base-Backbone interact. energy: -0.827
local terms energy: -50.361591
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -6.616
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -11.823
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: 8, replica: 3
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -185.339783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.339783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.339783 (E_RNA)
where:
Base-Base interactions energy: -126.101
where: short stacking energy: -50.917
Base-Backbone interact. energy: -0.081
local terms energy: -59.157615
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -13.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -73.641099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.641099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.641099 (E_RNA)
where:
Base-Base interactions energy: -32.713
where: short stacking energy: -28.654
Base-Backbone interact. energy: -0.228
local terms energy: -40.699354
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -8.069
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -2.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -68.100977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.100977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.100977 (E_RNA)
where:
Base-Base interactions energy: -22.234
where: short stacking energy: -16.752
Base-Backbone interact. energy: -0.115
local terms energy: -45.751686
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -4.698
tors. eta vs tors. theta energy: -1.724
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: 1, replica: 4
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -207.755146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.755146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.755146 (E_RNA)
where:
Base-Base interactions energy: -140.420
where: short stacking energy: -59.337
Base-Backbone interact. energy: -0.001
local terms energy: -67.334556
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -15.060
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: 6
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -211.166751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.166751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.166751 (E_RNA)
where:
Base-Base interactions energy: -135.578
where: short stacking energy: -66.920
Base-Backbone interact. energy: -0.790
local terms energy: -74.798996
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -18.858
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: 131
Temperature: 1.000000
Total energy: -208.718825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.718825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.718825 (E_RNA)
where:
Base-Base interactions energy: -144.138
where: short stacking energy: -65.972
Base-Backbone interact. energy: -0.453
local terms energy: -64.128199
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -10.362
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -19.119
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: 9
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -202.730282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.730282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.730282 (E_RNA)
where:
Base-Base interactions energy: -135.682
where: short stacking energy: -65.183
Base-Backbone interact. energy: -0.180
local terms energy: -66.868226
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -12.023
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -19.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -208.652664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.652664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.652664 (E_RNA)
where:
Base-Base interactions energy: -145.068
where: short stacking energy: -62.795
Base-Backbone interact. energy: -0.003
local terms energy: -63.581093
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -10.150
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -16.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -189.606000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.606000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.606000 (E_RNA)
where:
Base-Base interactions energy: -127.337
where: short stacking energy: -53.281
Base-Backbone interact. energy: -0.045
local terms energy: -62.224267
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -13.183
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: 2
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -191.392895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.392895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.392895 (E_RNA)
where:
Base-Base interactions energy: -131.924
where: short stacking energy: -63.353
Base-Backbone interact. energy: -0.031
local terms energy: -59.437445
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -18.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -183.934812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.934812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.934812 (E_RNA)
where:
Base-Base interactions energy: -131.741
where: short stacking energy: -55.855
Base-Backbone interact. energy: -0.046
local terms energy: -52.147472
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -5.527
flat angles C4'-P-C4' energy: -10.855
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -13.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -78.591472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.591472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.591472 (E_RNA)
where:
Base-Base interactions energy: -27.337
where: short stacking energy: -25.480
Base-Backbone interact. energy: 0.284
local terms energy: -51.538754
where:
bonds (distance) C4'-P energy: -9.908
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -4.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -91.104845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.104845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.104845 (E_RNA)
where:
Base-Base interactions energy: -53.704
where: short stacking energy: -21.278
Base-Backbone interact. energy: -0.112
local terms energy: -37.289319
where:
bonds (distance) C4'-P energy: -9.143
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -4.931
flat angles P-C4'-P energy: -7.185
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: 1, replica: 6
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -202.334185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.334185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.334185 (E_RNA)
where:
Base-Base interactions energy: -130.829
where: short stacking energy: -58.372
Base-Backbone interact. energy: -0.002
local terms energy: -71.502864
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -16.857
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: 4
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -211.753851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.753851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.753851 (E_RNA)
where:
Base-Base interactions energy: -143.016
where: short stacking energy: -63.987
Base-Backbone interact. energy: -0.478
local terms energy: -68.260468
where:
bonds (distance) C4'-P energy: -9.648
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -11.566
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -20.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -206.472315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.472315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.472315 (E_RNA)
where:
Base-Base interactions energy: -143.287
where: short stacking energy: -54.398
Base-Backbone interact. energy: -0.344
local terms energy: -62.841661
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -14.766
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: 4, replica: 9
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -206.257826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.257826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.257826 (E_RNA)
where:
Base-Base interactions energy: -138.856
where: short stacking energy: -60.394
Base-Backbone interact. energy: 0.104
local terms energy: -67.505834
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -16.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -199.546393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.546393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.546393 (E_RNA)
where:
Base-Base interactions energy: -140.608
where: short stacking energy: -66.438
Base-Backbone interact. energy: -0.004
local terms energy: -58.933762
where:
bonds (distance) C4'-P energy: -8.803
bonds (distance) P-C4' energy: -11.798
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -17.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -191.769053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.769053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.769053 (E_RNA)
where:
Base-Base interactions energy: -129.748
where: short stacking energy: -58.152
Base-Backbone interact. energy: -0.026
local terms energy: -61.995225
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -6.621
tors. eta vs tors. theta energy: -16.171
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: 3
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -188.666998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.666998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.666998 (E_RNA)
where:
Base-Base interactions energy: -121.258
where: short stacking energy: -50.101
Base-Backbone interact. energy: -0.000
local terms energy: -67.408536
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -16.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -185.851081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.851081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.851081 (E_RNA)
where:
Base-Base interactions energy: -122.198
where: short stacking energy: -62.870
Base-Backbone interact. energy: -0.000
local terms energy: -63.652446
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -15.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -83.963720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.963720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.963720 (E_RNA)
where:
Base-Base interactions energy: -41.965
where: short stacking energy: -35.428
Base-Backbone interact. energy: -0.191
local terms energy: -41.807931
where:
bonds (distance) C4'-P energy: -10.246
bonds (distance) P-C4' energy: -10.449
flat angles C4'-P-C4' energy: -8.778
flat angles P-C4'-P energy: -4.945
tors. eta vs tors. theta energy: -7.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -70.911791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.911791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.911791 (E_RNA)
where:
Base-Base interactions energy: -27.315
where: short stacking energy: -17.757
Base-Backbone interact. energy: -0.040
local terms energy: -43.556940
where:
bonds (distance) C4'-P energy: -9.122
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -10.861
flat angles P-C4'-P energy: -9.472
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: 1, replica: 6
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -203.203882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.203882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.203882 (E_RNA)
where:
Base-Base interactions energy: -136.415
where: short stacking energy: -66.047
Base-Backbone interact. energy: 0.234
local terms energy: -67.023165
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -17.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -206.879141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.879141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.879141 (E_RNA)
where:
Base-Base interactions energy: -141.705
where: short stacking energy: -64.518
Base-Backbone interact. energy: -0.438
local terms energy: -64.735923
where:
bonds (distance) C4'-P energy: -8.861
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -16.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -202.775161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.775161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.775161 (E_RNA)
where:
Base-Base interactions energy: -133.320
where: short stacking energy: -54.882
Base-Backbone interact. energy: -0.494
local terms energy: -68.961928
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -17.383
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: 4, replica: 5
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -206.285587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.285587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.285587 (E_RNA)
where:
Base-Base interactions energy: -141.481
where: short stacking energy: -67.489
Base-Backbone interact. energy: 0.462
local terms energy: -65.267095
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -6.311
tors. eta vs tors. theta energy: -16.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -198.761655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.761655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.761655 (E_RNA)
where:
Base-Base interactions energy: -136.260
where: short stacking energy: -63.931
Base-Backbone interact. energy: -0.096
local terms energy: -62.404999
where:
bonds (distance) C4'-P energy: -11.476
bonds (distance) P-C4' energy: -10.622
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: -19.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -196.279308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.279308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.279308 (E_RNA)
where:
Base-Base interactions energy: -134.134
where: short stacking energy: -60.767
Base-Backbone interact. energy: -0.043
local terms energy: -62.102786
where:
bonds (distance) C4'-P energy: -9.280
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -9.264
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: 7, replica: 1
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -185.423058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.423058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.423058 (E_RNA)
where:
Base-Base interactions energy: -129.529
where: short stacking energy: -52.664
Base-Backbone interact. energy: 0.099
local terms energy: -55.992622
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -11.715
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: 2
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -179.872056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.872056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.872056 (E_RNA)
where:
Base-Base interactions energy: -119.937
where: short stacking energy: -53.254
Base-Backbone interact. energy: -0.011
local terms energy: -59.924034
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -11.816
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -14.467
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: 7
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -63.328337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.328337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.328337 (E_RNA)
where:
Base-Base interactions energy: -25.194
where: short stacking energy: -25.194
Base-Backbone interact. energy: -0.094
local terms energy: -38.040073
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -8.483
flat angles P-C4'-P energy: -4.223
tors. eta vs tors. theta energy: 1.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -82.976496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.976496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.976496 (E_RNA)
where:
Base-Base interactions energy: -39.693
where: short stacking energy: -31.035
Base-Backbone interact. energy: 0.486
local terms energy: -43.769080
where:
bonds (distance) C4'-P energy: -4.962
bonds (distance) P-C4' energy: -9.971
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -5.660
tors. eta vs tors. theta energy: -10.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -213.478343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.478343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.478343 (E_RNA)
where:
Base-Base interactions energy: -143.360
where: short stacking energy: -68.496
Base-Backbone interact. energy: -0.027
local terms energy: -70.092045
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -17.586
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: 6
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -210.621742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.621742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.621742 (E_RNA)
where:
Base-Base interactions energy: -142.235
where: short stacking energy: -67.020
Base-Backbone interact. energy: -0.593
local terms energy: -67.794497
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -10.685
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: 3, replica: 5
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -198.163818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.163818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.163818 (E_RNA)
where:
Base-Base interactions energy: -140.092
where: short stacking energy: -67.014
Base-Backbone interact. energy: -0.035
local terms energy: -58.037205
where:
bonds (distance) C4'-P energy: -6.713
bonds (distance) P-C4' energy: -7.880
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -20.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -201.861179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.861179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.861179 (E_RNA)
where:
Base-Base interactions energy: -143.889
where: short stacking energy: -56.167
Base-Backbone interact. energy: -0.002
local terms energy: -57.969772
where:
bonds (distance) C4'-P energy: -9.378
bonds (distance) P-C4' energy: -10.817
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -8.431
tors. eta vs tors. theta energy: -16.165
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: 3
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -198.814533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.814533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.814533 (E_RNA)
where:
Base-Base interactions energy: -133.548
where: short stacking energy: -57.480
Base-Backbone interact. energy: -0.010
local terms energy: -65.256939
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -13.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -197.205654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.205654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.205654 (E_RNA)
where:
Base-Base interactions energy: -139.673
where: short stacking energy: -68.440
Base-Backbone interact. energy: -0.002
local terms energy: -57.531365
where:
bonds (distance) C4'-P energy: -10.193
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -5.666
tors. eta vs tors. theta energy: -17.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -185.040898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.040898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.040898 (E_RNA)
where:
Base-Base interactions energy: -131.310
where: short stacking energy: -58.553
Base-Backbone interact. energy: -0.009
local terms energy: -53.722045
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -5.637
flat angles C4'-P-C4' energy: -11.008
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -14.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -154.936548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.936548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.936548 (E_RNA)
where:
Base-Base interactions energy: -95.220
where: short stacking energy: -39.617
Base-Backbone interact. energy: -0.517
local terms energy: -59.199864
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -10.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -77.912463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.912463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.912463 (E_RNA)
where:
Base-Base interactions energy: -40.786
where: short stacking energy: -26.008
Base-Backbone interact. energy: -0.765
local terms energy: -36.361303
where:
bonds (distance) C4'-P energy: -9.539
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -7.794
flat angles P-C4'-P energy: -2.947
tors. eta vs tors. theta energy: -2.580
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: 7
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -71.682154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.682154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.682154 (E_RNA)
where:
Base-Base interactions energy: -28.352
where: short stacking energy: -28.352
Base-Backbone interact. energy: 0.078
local terms energy: -43.408206
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -8.975
flat angles C4'-P-C4' energy: -8.755
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -7.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -211.259331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.259331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.259331 (E_RNA)
where:
Base-Base interactions energy: -141.047
where: short stacking energy: -60.164
Base-Backbone interact. energy: -0.123
local terms energy: -70.089814
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -18.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -213.398580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.398580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.398580 (E_RNA)
where:
Base-Base interactions energy: -143.694
where: short stacking energy: -68.720
Base-Backbone interact. energy: -0.609
local terms energy: -69.095442
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -11.462
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -17.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -206.473958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.473958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.473958 (E_RNA)
where:
Base-Base interactions energy: -138.951
where: short stacking energy: -58.506
Base-Backbone interact. energy: -0.003
local terms energy: -67.520348
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -14.517
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: 3
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -198.307536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.307536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.307536 (E_RNA)
where:
Base-Base interactions energy: -133.217
where: short stacking energy: -60.316
Base-Backbone interact. energy: -0.575
local terms energy: -64.515646
where:
bonds (distance) C4'-P energy: -7.971
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -19.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -203.272889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.272889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.272889 (E_RNA)
where:
Base-Base interactions energy: -136.280
where: short stacking energy: -59.615
Base-Backbone interact. energy: -0.058
local terms energy: -66.935248
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -17.181
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: 2
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -199.946323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.946323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.946323 (E_RNA)
where:
Base-Base interactions energy: -130.813
where: short stacking energy: -57.414
Base-Backbone interact. energy: 0.372
local terms energy: -69.505460
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -9.635
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: 7, replica: 9
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -198.497828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.497828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.497828 (E_RNA)
where:
Base-Base interactions energy: -135.431
where: short stacking energy: -55.801
Base-Backbone interact. energy: -0.050
local terms energy: -63.017037
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -13.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -143.250147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.250147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.250147 (E_RNA)
where:
Base-Base interactions energy: -86.403
where: short stacking energy: -46.026
Base-Backbone interact. energy: -0.069
local terms energy: -56.778151
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -4.284
tors. eta vs tors. theta energy: -12.135
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: 8
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -71.348012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.348012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.348012 (E_RNA)
where:
Base-Base interactions energy: -29.876
where: short stacking energy: -20.663
Base-Backbone interact. energy: -0.055
local terms energy: -41.416964
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -8.902
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -0.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -68.707428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.707428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.707428 (E_RNA)
where:
Base-Base interactions energy: -21.748
where: short stacking energy: -21.748
Base-Backbone interact. energy: -0.037
local terms energy: -46.922663
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -9.410
flat angles P-C4'-P energy: -5.280
tors. eta vs tors. theta energy: -6.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -211.636186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.636186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.636186 (E_RNA)
where:
Base-Base interactions energy: -143.989
where: short stacking energy: -61.774
Base-Backbone interact. energy: -0.044
local terms energy: -67.603045
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -16.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -205.874339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.874339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.874339 (E_RNA)
where:
Base-Base interactions energy: -141.865
where: short stacking energy: -59.232
Base-Backbone interact. energy: -0.640
local terms energy: -63.369587
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -6.821
tors. eta vs tors. theta energy: -14.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -205.412788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.412788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.412788 (E_RNA)
where:
Base-Base interactions energy: -138.041
where: short stacking energy: -60.143
Base-Backbone interact. energy: -0.000
local terms energy: -67.371421
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -10.377
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: 4, replica: 6
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -203.943011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.943011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.943011 (E_RNA)
where:
Base-Base interactions energy: -137.126
where: short stacking energy: -61.622
Base-Backbone interact. energy: -1.077
local terms energy: -65.740623
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -9.761
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -11.420
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: 5, replica: 4
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -189.390502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.390502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.390502 (E_RNA)
where:
Base-Base interactions energy: -132.106
where: short stacking energy: -59.511
Base-Backbone interact. energy: -0.002
local terms energy: -57.282145
where:
bonds (distance) C4'-P energy: -12.515
bonds (distance) P-C4' energy: -11.999
flat angles C4'-P-C4' energy: -7.722
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -16.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -200.395421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.395421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.395421 (E_RNA)
where:
Base-Base interactions energy: -130.782
where: short stacking energy: -63.179
Base-Backbone interact. energy: -0.835
local terms energy: -68.778666
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -11.567
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -18.840
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: 1
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -182.933786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.933786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.933786 (E_RNA)
where:
Base-Base interactions energy: -123.358
where: short stacking energy: -56.402
Base-Backbone interact. energy: -0.002
local terms energy: -59.573707
where:
bonds (distance) C4'-P energy: -9.510
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -15.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -193.694123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.694123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.694123 (E_RNA)
where:
Base-Base interactions energy: -126.920
where: short stacking energy: -63.121
Base-Backbone interact. energy: -0.000
local terms energy: -66.774301
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -12.327
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: 9, replica: 7
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -72.077211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.077211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.077211 (E_RNA)
where:
Base-Base interactions energy: -24.151
where: short stacking energy: -24.151
Base-Backbone interact. energy: -0.219
local terms energy: -47.706931
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -13.149
flat angles C4'-P-C4' energy: -7.688
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -3.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -80.736377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.736377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.736377 (E_RNA)
where:
Base-Base interactions energy: -42.964
where: short stacking energy: -28.956
Base-Backbone interact. energy: -0.075
local terms energy: -37.697337
where:
bonds (distance) C4'-P energy: -5.221
bonds (distance) P-C4' energy: -6.135
flat angles C4'-P-C4' energy: -11.074
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -4.507
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: 137
Temperature: 0.900000
Total energy: -212.876169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.876169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.876169 (E_RNA)
where:
Base-Base interactions energy: -152.982
where: short stacking energy: -65.647
Base-Backbone interact. energy: -0.014
local terms energy: -59.880203
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -11.171
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -13.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -210.790554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.790554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.790554 (E_RNA)
where:
Base-Base interactions energy: -139.325
where: short stacking energy: -61.977
Base-Backbone interact. energy: -0.010
local terms energy: -71.455955
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -10.003
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: 3, replica: 3
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -207.172893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.172893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.172893 (E_RNA)
where:
Base-Base interactions energy: -138.462
where: short stacking energy: -67.775
Base-Backbone interact. energy: -0.058
local terms energy: -68.652994
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -18.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -198.664249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.664249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.664249 (E_RNA)
where:
Base-Base interactions energy: -130.353
where: short stacking energy: -60.063
Base-Backbone interact. energy: -0.238
local terms energy: -68.072787
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -17.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -201.256530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.256530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.256530 (E_RNA)
where:
Base-Base interactions energy: -133.380
where: short stacking energy: -59.308
Base-Backbone interact. energy: -1.464
local terms energy: -66.411739
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -17.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -194.162683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.162683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.162683 (E_RNA)
where:
Base-Base interactions energy: -136.447
where: short stacking energy: -63.655
Base-Backbone interact. energy: -0.003
local terms energy: -57.713265
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -9.775
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -16.080
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: 7, replica: 1
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -181.655172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.655172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.655172 (E_RNA)
where:
Base-Base interactions energy: -127.363
where: short stacking energy: -49.938
Base-Backbone interact. energy: 1.120
local terms energy: -55.412744
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -12.243
flat angles P-C4'-P energy: -5.635
tors. eta vs tors. theta energy: -12.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -156.598974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.598974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.598974 (E_RNA)
where:
Base-Base interactions energy: -107.320
where: short stacking energy: -42.388
Base-Backbone interact. energy: -0.392
local terms energy: -48.887669
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -9.454
flat angles P-C4'-P energy: -5.367
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: 9, replica: 7
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -79.129551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.129551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.129551 (E_RNA)
where:
Base-Base interactions energy: -35.728
where: short stacking energy: -19.647
Base-Backbone interact. energy: -0.134
local terms energy: -43.267080
where:
bonds (distance) C4'-P energy: -10.679
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -5.899
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: 10, replica: 8
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -71.238272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.238272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.238272 (E_RNA)
where:
Base-Base interactions energy: -25.303
where: short stacking energy: -25.303
Base-Backbone interact. energy: 2.565
local terms energy: -48.499901
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -3.629
tors. eta vs tors. theta energy: -5.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -214.438812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.438812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.438812 (E_RNA)
where:
Base-Base interactions energy: -147.123
where: short stacking energy: -67.143
Base-Backbone interact. energy: 1.726
local terms energy: -69.042003
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -12.876
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -15.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -208.850441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.850441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.850441 (E_RNA)
where:
Base-Base interactions energy: -144.745
where: short stacking energy: -57.142
Base-Backbone interact. energy: -0.295
local terms energy: -63.810157
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -16.024
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: 3, replica: 3
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -203.512230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.512230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.512230 (E_RNA)
where:
Base-Base interactions energy: -139.426
where: short stacking energy: -64.410
Base-Backbone interact. energy: -0.001
local terms energy: -64.085192
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -15.264
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: 4
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -199.284331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.284331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.284331 (E_RNA)
where:
Base-Base interactions energy: -133.252
where: short stacking energy: -63.665
Base-Backbone interact. energy: -0.260
local terms energy: -65.772966
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -16.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -201.036180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.036180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.036180 (E_RNA)
where:
Base-Base interactions energy: -130.184
where: short stacking energy: -60.897
Base-Backbone interact. energy: -0.089
local terms energy: -70.763990
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -20.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -197.903306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.903306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.903306 (E_RNA)
where:
Base-Base interactions energy: -130.485
where: short stacking energy: -62.538
Base-Backbone interact. energy: -0.279
local terms energy: -67.138739
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -16.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -187.023780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.023780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.023780 (E_RNA)
where:
Base-Base interactions energy: -135.959
where: short stacking energy: -48.108
Base-Backbone interact. energy: -0.385
local terms energy: -50.679869
where:
bonds (distance) C4'-P energy: -6.489
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -9.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -158.109206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.109206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.109206 (E_RNA)
where:
Base-Base interactions energy: -101.788
where: short stacking energy: -47.159
Base-Backbone interact. energy: -0.081
local terms energy: -56.239742
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -6.981
flat angles C4'-P-C4' energy: -12.343
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -12.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -73.447544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.447544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.447544 (E_RNA)
where:
Base-Base interactions energy: -28.463
where: short stacking energy: -25.287
Base-Backbone interact. energy: -0.006
local terms energy: -44.979383
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -9.976
flat angles P-C4'-P energy: -3.640
tors. eta vs tors. theta energy: -3.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -77.765197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.765197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.765197 (E_RNA)
where:
Base-Base interactions energy: -33.078
where: short stacking energy: -27.765
Base-Backbone interact. energy: -0.077
local terms energy: -44.610248
where:
bonds (distance) C4'-P energy: -9.532
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -10.493
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: -4.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -213.550227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.550227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.550227 (E_RNA)
where:
Base-Base interactions energy: -139.872
where: short stacking energy: -66.416
Base-Backbone interact. energy: -0.926
local terms energy: -72.752140
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -17.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -214.556661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.556661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.556661 (E_RNA)
where:
Base-Base interactions energy: -144.501
where: short stacking energy: -60.195
Base-Backbone interact. energy: -0.532
local terms energy: -69.523738
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -18.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -210.278812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.278812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.278812 (E_RNA)
where:
Base-Base interactions energy: -140.302
where: short stacking energy: -67.699
Base-Backbone interact. energy: -0.586
local terms energy: -69.390098
where:
bonds (distance) C4'-P energy: -14.432
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -18.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -198.869621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.869621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.869621 (E_RNA)
where:
Base-Base interactions energy: -135.180
where: short stacking energy: -62.064
Base-Backbone interact. energy: -0.052
local terms energy: -63.638027
where:
bonds (distance) C4'-P energy: -9.769
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -18.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -203.400763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.400763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.400763 (E_RNA)
where:
Base-Base interactions energy: -137.758
where: short stacking energy: -63.700
Base-Backbone interact. energy: -1.285
local terms energy: -64.357312
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -19.085
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: 2
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -192.477772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.477772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.477772 (E_RNA)
where:
Base-Base interactions energy: -126.733
where: short stacking energy: -60.460
Base-Backbone interact. energy: -0.005
local terms energy: -65.740090
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -16.385
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: 1
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -190.417976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.417976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.417976 (E_RNA)
where:
Base-Base interactions energy: -131.536
where: short stacking energy: -52.815
Base-Backbone interact. energy: -0.316
local terms energy: -58.566390
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -9.924
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -15.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -183.121331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.121331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.121331 (E_RNA)
where:
Base-Base interactions energy: -122.053
where: short stacking energy: -54.590
Base-Backbone interact. energy: -0.009
local terms energy: -61.059628
where:
bonds (distance) C4'-P energy: -12.391
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -8.833
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -15.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -67.847248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.847248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.847248 (E_RNA)
where:
Base-Base interactions energy: -26.786
where: short stacking energy: -15.410
Base-Backbone interact. energy: -0.351
local terms energy: -40.710324
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -10.399
flat angles C4'-P-C4' energy: -11.052
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: 1.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -73.194598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.194598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.194598 (E_RNA)
where:
Base-Base interactions energy: -32.411
where: short stacking energy: -32.411
Base-Backbone interact. energy: -0.002
local terms energy: -40.782047
where:
bonds (distance) C4'-P energy: -8.712
bonds (distance) P-C4' energy: -11.318
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -2.533
tors. eta vs tors. theta energy: -3.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -210.868938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.868938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.868938 (E_RNA)
where:
Base-Base interactions energy: -142.704
where: short stacking energy: -58.961
Base-Backbone interact. energy: 0.103
local terms energy: -68.268410
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -11.170
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -12.768
tors. eta vs tors. theta energy: -18.572
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: 5
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -211.235825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.235825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.235825 (E_RNA)
where:
Base-Base interactions energy: -142.479
where: short stacking energy: -69.116
Base-Backbone interact. energy: -0.002
local terms energy: -68.754863
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -16.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -209.852075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.852075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.852075 (E_RNA)
where:
Base-Base interactions energy: -138.734
where: short stacking energy: -59.465
Base-Backbone interact. energy: -0.006
local terms energy: -71.112772
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -16.886
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: 4, replica: 10
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -200.454849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.454849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.454849 (E_RNA)
where:
Base-Base interactions energy: -135.992
where: short stacking energy: -59.725
Base-Backbone interact. energy: -0.045
local terms energy: -64.418495
where:
bonds (distance) C4'-P energy: -8.538
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -17.288
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: 2
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -197.898412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.898412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.898412 (E_RNA)
where:
Base-Base interactions energy: -134.349
where: short stacking energy: -58.999
Base-Backbone interact. energy: -0.285
local terms energy: -63.264509
where:
bonds (distance) C4'-P energy: -9.801
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -15.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -187.532755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.532755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.532755 (E_RNA)
where:
Base-Base interactions energy: -138.944
where: short stacking energy: -52.585
Base-Backbone interact. energy: 0.014
local terms energy: -48.603388
where:
bonds (distance) C4'-P energy: -9.105
bonds (distance) P-C4' energy: -4.868
flat angles C4'-P-C4' energy: -11.032
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -16.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -182.674735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.674735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.674735 (E_RNA)
where:
Base-Base interactions energy: -125.548
where: short stacking energy: -56.599
Base-Backbone interact. energy: -0.136
local terms energy: -56.991298
where:
bonds (distance) C4'-P energy: -9.135
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -4.869
tors. eta vs tors. theta energy: -13.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -184.089139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.089139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.089139 (E_RNA)
where:
Base-Base interactions energy: -138.542
where: short stacking energy: -58.429
Base-Backbone interact. energy: -0.030
local terms energy: -45.517548
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -11.108
flat angles C4'-P-C4' energy: -7.427
flat angles P-C4'-P energy: -0.840
tors. eta vs tors. theta energy: -13.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -70.105185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.105185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.105185 (E_RNA)
where:
Base-Base interactions energy: -29.676
where: short stacking energy: -29.676
Base-Backbone interact. energy: -0.044
local terms energy: -40.385790
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -8.362
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: 0.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -72.454617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.454617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.454617 (E_RNA)
where:
Base-Base interactions energy: -27.302
where: short stacking energy: -26.963
Base-Backbone interact. energy: 0.848
local terms energy: -46.000497
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -11.106
flat angles P-C4'-P energy: -6.834
tors. eta vs tors. theta energy: -6.251
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: 3
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -207.656812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.656812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.656812 (E_RNA)
where:
Base-Base interactions energy: -139.416
where: short stacking energy: -58.069
Base-Backbone interact. energy: -0.441
local terms energy: -67.800425
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -16.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -211.165138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.165138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.165138 (E_RNA)
where:
Base-Base interactions energy: -138.106
where: short stacking energy: -70.442
Base-Backbone interact. energy: -0.055
local terms energy: -73.003624
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -20.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -205.388688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.388688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.388688 (E_RNA)
where:
Base-Base interactions energy: -140.685
where: short stacking energy: -59.558
Base-Backbone interact. energy: -0.001
local terms energy: -64.703174
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -19.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -202.662619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.662619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.662619 (E_RNA)
where:
Base-Base interactions energy: -144.117
where: short stacking energy: -60.367
Base-Backbone interact. energy: -0.061
local terms energy: -58.485243
where:
bonds (distance) C4'-P energy: -9.747
bonds (distance) P-C4' energy: -9.075
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -6.118
tors. eta vs tors. theta energy: -18.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -196.988527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.988527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.988527 (E_RNA)
where:
Base-Base interactions energy: -135.645
where: short stacking energy: -52.528
Base-Backbone interact. energy: -0.013
local terms energy: -61.330511
where:
bonds (distance) C4'-P energy: -10.922
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -14.536
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: 4
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -195.203295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.203295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.203295 (E_RNA)
where:
Base-Base interactions energy: -136.306
where: short stacking energy: -62.195
Base-Backbone interact. energy: -0.135
local terms energy: -58.762598
where:
bonds (distance) C4'-P energy: -9.300
bonds (distance) P-C4' energy: -12.921
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -13.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -183.010278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.010278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.010278 (E_RNA)
where:
Base-Base interactions energy: -126.145
where: short stacking energy: -63.979
Base-Backbone interact. energy: -0.001
local terms energy: -56.864553
where:
bonds (distance) C4'-P energy: -7.017
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -12.159
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: 141
Temperature: 1.250000
Total energy: -185.589276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.589276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.589276 (E_RNA)
where:
Base-Base interactions energy: -135.579
where: short stacking energy: -57.634
Base-Backbone interact. energy: -0.044
local terms energy: -49.965761
where:
bonds (distance) C4'-P energy: -7.445
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -5.624
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -15.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -77.318352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.318352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.318352 (E_RNA)
where:
Base-Base interactions energy: -27.648
where: short stacking energy: -27.048
Base-Backbone interact. energy: -0.438
local terms energy: -49.232231
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -7.909
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -6.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -75.046881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.046881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.046881 (E_RNA)
where:
Base-Base interactions energy: -34.825
where: short stacking energy: -22.744
Base-Backbone interact. energy: -0.135
local terms energy: -40.086771
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -10.163
flat angles C4'-P-C4' energy: -9.643
flat angles P-C4'-P energy: -5.710
tors. eta vs tors. theta energy: -3.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -207.126076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.126076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.126076 (E_RNA)
where:
Base-Base interactions energy: -141.320
where: short stacking energy: -68.313
Base-Backbone interact. energy: -0.280
local terms energy: -65.526783
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -10.611
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -17.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -201.165155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.165155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.165155 (E_RNA)
where:
Base-Base interactions energy: -137.520
where: short stacking energy: -63.472
Base-Backbone interact. energy: -0.002
local terms energy: -63.643118
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -12.425
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -19.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -204.507317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.507317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.507317 (E_RNA)
where:
Base-Base interactions energy: -142.321
where: short stacking energy: -60.553
Base-Backbone interact. energy: -0.158
local terms energy: -62.028004
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -12.024
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -5.919
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: 4, replica: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -203.622838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.622838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.622838 (E_RNA)
where:
Base-Base interactions energy: -140.160
where: short stacking energy: -55.256
Base-Backbone interact. energy: -0.007
local terms energy: -63.455618
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -10.451
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -18.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -199.908371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.908371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.908371 (E_RNA)
where:
Base-Base interactions energy: -132.539
where: short stacking energy: -54.790
Base-Backbone interact. energy: 0.115
local terms energy: -67.483610
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -14.828
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: 6, replica: 10
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -199.911442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.911442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.911442 (E_RNA)
where:
Base-Base interactions energy: -134.102
where: short stacking energy: -60.339
Base-Backbone interact. energy: -0.054
local terms energy: -65.755506
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -9.615
flat angles P-C4'-P energy: -12.853
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: 7, replica: 9
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -186.781066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.781066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.781066 (E_RNA)
where:
Base-Base interactions energy: -125.966
where: short stacking energy: -59.925
Base-Backbone interact. energy: -0.133
local terms energy: -60.681905
where:
bonds (distance) C4'-P energy: -9.835
bonds (distance) P-C4' energy: -9.816
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -11.927
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: 8, replica: 1
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -172.349250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.349250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.349250 (E_RNA)
where:
Base-Base interactions energy: -117.886
where: short stacking energy: -55.338
Base-Backbone interact. energy: -0.060
local terms energy: -54.403594
where:
bonds (distance) C4'-P energy: -8.228
bonds (distance) P-C4' energy: -9.302
flat angles C4'-P-C4' energy: -11.863
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -15.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -76.041129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.041129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.041129 (E_RNA)
where:
Base-Base interactions energy: -35.367
where: short stacking energy: -31.390
Base-Backbone interact. energy: 0.869
local terms energy: -41.542605
where:
bonds (distance) C4'-P energy: -6.375
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -7.793
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -5.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -76.640916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.640916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.640916 (E_RNA)
where:
Base-Base interactions energy: -39.112
where: short stacking energy: -36.597
Base-Backbone interact. energy: -0.078
local terms energy: -37.450570
where:
bonds (distance) C4'-P energy: -2.212
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -3.986
tors. eta vs tors. theta energy: -1.900
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: 6
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -211.838204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.838204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.838204 (E_RNA)
where:
Base-Base interactions energy: -139.669
where: short stacking energy: -69.950
Base-Backbone interact. energy: -0.023
local terms energy: -72.146406
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -16.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -206.621984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.621984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.621984 (E_RNA)
where:
Base-Base interactions energy: -134.582
where: short stacking energy: -64.025
Base-Backbone interact. energy: -0.006
local terms energy: -72.034656
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -19.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -204.956740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.956740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.956740 (E_RNA)
where:
Base-Base interactions energy: -137.295
where: short stacking energy: -62.924
Base-Backbone interact. energy: -0.382
local terms energy: -67.280465
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -17.023
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: 4
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -206.099815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.099815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.099815 (E_RNA)
where:
Base-Base interactions energy: -140.160
where: short stacking energy: -59.757
Base-Backbone interact. energy: -0.352
local terms energy: -65.587865
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: -18.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -197.915693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.915693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.915693 (E_RNA)
where:
Base-Base interactions energy: -132.430
where: short stacking energy: -62.772
Base-Backbone interact. energy: -0.025
local terms energy: -65.460833
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -17.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -189.522895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.522895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.522895 (E_RNA)
where:
Base-Base interactions energy: -129.642
where: short stacking energy: -53.270
Base-Backbone interact. energy: -0.279
local terms energy: -59.601427
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -8.305
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -16.059
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: 9
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -192.636983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.636983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.636983 (E_RNA)
where:
Base-Base interactions energy: -133.920
where: short stacking energy: -63.283
Base-Backbone interact. energy: -0.010
local terms energy: -58.707284
where:
bonds (distance) C4'-P energy: -8.637
bonds (distance) P-C4' energy: -8.302
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -16.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -188.797624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.797624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.797624 (E_RNA)
where:
Base-Base interactions energy: -129.971
where: short stacking energy: -57.907
Base-Backbone interact. energy: -0.032
local terms energy: -58.794635
where:
bonds (distance) C4'-P energy: -7.345
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -14.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -78.179275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.179275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.179275 (E_RNA)
where:
Base-Base interactions energy: -27.716
where: short stacking energy: -24.710
Base-Backbone interact. energy: -0.189
local terms energy: -50.274099
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -6.914
tors. eta vs tors. theta energy: -4.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -66.359123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.359123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.359123 (E_RNA)
where:
Base-Base interactions energy: -21.213
where: short stacking energy: -21.213
Base-Backbone interact. energy: -0.172
local terms energy: -44.974492
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -10.464
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: 0.683
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: 1, replica: 5
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -208.021395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.021395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.021395 (E_RNA)
where:
Base-Base interactions energy: -136.654
where: short stacking energy: -61.430
Base-Backbone interact. energy: -0.516
local terms energy: -70.852304
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -17.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -213.555663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.555663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.555663 (E_RNA)
where:
Base-Base interactions energy: -140.762
where: short stacking energy: -65.098
Base-Backbone interact. energy: 0.602
local terms energy: -73.395647
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -12.612
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: 3, replica: 4
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -205.318928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.318928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.318928 (E_RNA)
where:
Base-Base interactions energy: -136.306
where: short stacking energy: -60.069
Base-Backbone interact. energy: -0.000
local terms energy: -69.012496
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -18.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -199.414534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.414534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.414534 (E_RNA)
where:
Base-Base interactions energy: -138.442
where: short stacking energy: -49.602
Base-Backbone interact. energy: 0.959
local terms energy: -61.931430
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -10.667
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -14.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -200.837447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.837447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.837447 (E_RNA)
where:
Base-Base interactions energy: -133.782
where: short stacking energy: -60.844
Base-Backbone interact. energy: -0.075
local terms energy: -66.980056
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -16.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -191.414335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.414335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.414335 (E_RNA)
where:
Base-Base interactions energy: -130.756
where: short stacking energy: -54.281
Base-Backbone interact. energy: -0.629
local terms energy: -60.029102
where:
bonds (distance) C4'-P energy: -6.368
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -15.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -187.782812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.782812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.782812 (E_RNA)
where:
Base-Base interactions energy: -126.969
where: short stacking energy: -62.146
Base-Backbone interact. energy: -0.019
local terms energy: -60.795136
where:
bonds (distance) C4'-P energy: -8.994
bonds (distance) P-C4' energy: -11.223
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -16.157
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: 9
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -183.833137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.833137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.833137 (E_RNA)
where:
Base-Base interactions energy: -123.975
where: short stacking energy: -54.221
Base-Backbone interact. energy: -0.113
local terms energy: -59.744622
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -15.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -75.514166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.514166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.514166 (E_RNA)
where:
Base-Base interactions energy: -26.301
where: short stacking energy: -24.118
Base-Backbone interact. energy: 0.115
local terms energy: -49.328406
where:
bonds (distance) C4'-P energy: -9.031
bonds (distance) P-C4' energy: -10.250
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -6.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -66.060972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.060972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.060972 (E_RNA)
where:
Base-Base interactions energy: -32.427
where: short stacking energy: -28.408
Base-Backbone interact. energy: 0.022
local terms energy: -33.655787
where:
bonds (distance) C4'-P energy: -8.348
bonds (distance) P-C4' energy: -9.987
flat angles C4'-P-C4' energy: -9.098
flat angles P-C4'-P energy: -5.203
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: 5
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -215.534235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.534235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.534235 (E_RNA)
where:
Base-Base interactions energy: -144.931
where: short stacking energy: -70.048
Base-Backbone interact. energy: -0.123
local terms energy: -70.479995
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -19.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -211.526711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.526711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.526711 (E_RNA)
where:
Base-Base interactions energy: -140.025
where: short stacking energy: -67.418
Base-Backbone interact. energy: -0.065
local terms energy: -71.436460
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -10.314
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: 3, replica: 4
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -215.320044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.320044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.320044 (E_RNA)
where:
Base-Base interactions energy: -145.772
where: short stacking energy: -65.888
Base-Backbone interact. energy: -0.061
local terms energy: -69.486987
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -13.049
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -8.271
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: 4, replica: 2
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -189.949728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.949728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.949728 (E_RNA)
where:
Base-Base interactions energy: -129.722
where: short stacking energy: -53.736
Base-Backbone interact. energy: -0.614
local terms energy: -59.612905
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -6.816
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: 3
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -204.088679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.088679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.088679 (E_RNA)
where:
Base-Base interactions energy: -139.267
where: short stacking energy: -54.694
Base-Backbone interact. energy: -0.263
local terms energy: -64.559140
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -13.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -199.826627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.826627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.826627 (E_RNA)
where:
Base-Base interactions energy: -136.146
where: short stacking energy: -67.227
Base-Backbone interact. energy: -0.284
local terms energy: -63.397190
where:
bonds (distance) C4'-P energy: -12.429
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -10.286
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -18.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -177.731898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.731898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.731898 (E_RNA)
where:
Base-Base interactions energy: -118.073
where: short stacking energy: -52.758
Base-Backbone interact. energy: -0.144
local terms energy: -59.514058
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -4.249
tors. eta vs tors. theta energy: -15.489
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: 9
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -184.871706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.871706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.871706 (E_RNA)
where:
Base-Base interactions energy: -127.984
where: short stacking energy: -53.126
Base-Backbone interact. energy: -0.068
local terms energy: -56.819315
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -8.839
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -6.598
tors. eta vs tors. theta energy: -15.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -78.940382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.940382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.940382 (E_RNA)
where:
Base-Base interactions energy: -31.793
where: short stacking energy: -31.779
Base-Backbone interact. energy: -1.113
local terms energy: -46.034601
where:
bonds (distance) C4'-P energy: -9.180
bonds (distance) P-C4' energy: -12.714
flat angles C4'-P-C4' energy: -12.170
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: -4.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -123.338480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.338480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.338480 (E_RNA)
where:
Base-Base interactions energy: -79.435
where: short stacking energy: -50.607
Base-Backbone interact. energy: -0.075
local terms energy: -43.827625
where:
bonds (distance) C4'-P energy: -10.344
bonds (distance) P-C4' energy: -8.689
flat angles C4'-P-C4' energy: -5.446
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -12.257
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: 146
Temperature: 0.900000
Total energy: -212.020434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.020434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.020434 (E_RNA)
where:
Base-Base interactions energy: -142.101
where: short stacking energy: -69.439
Base-Backbone interact. energy: -0.039
local terms energy: -69.880227
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -17.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -211.080388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.080388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.080388 (E_RNA)
where:
Base-Base interactions energy: -140.669
where: short stacking energy: -61.760
Base-Backbone interact. energy: -0.783
local terms energy: -69.628588
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -6.162
tors. eta vs tors. theta energy: -19.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -202.143419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.143419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.143419 (E_RNA)
where:
Base-Base interactions energy: -141.371
where: short stacking energy: -58.718
Base-Backbone interact. energy: -0.038
local terms energy: -60.734376
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -14.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -204.756283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.756283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.756283 (E_RNA)
where:
Base-Base interactions energy: -143.262
where: short stacking energy: -56.805
Base-Backbone interact. energy: -0.022
local terms energy: -61.472722
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: -16.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -204.678704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.678704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.678704 (E_RNA)
where:
Base-Base interactions energy: -139.886
where: short stacking energy: -69.522
Base-Backbone interact. energy: -0.000
local terms energy: -64.792376
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -6.888
tors. eta vs tors. theta energy: -17.984
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: 10
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -197.026697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.026697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.026697 (E_RNA)
where:
Base-Base interactions energy: -134.783
where: short stacking energy: -61.368
Base-Backbone interact. energy: -0.409
local terms energy: -61.834846
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -9.551
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -15.503
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: 7, replica: 9
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -181.810175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.810175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.810175 (E_RNA)
where:
Base-Base interactions energy: -130.464
where: short stacking energy: -56.895
Base-Backbone interact. energy: -0.116
local terms energy: -51.229849
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -10.346
flat angles P-C4'-P energy: -7.266
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: 1
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -189.059091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.059091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.059091 (E_RNA)
where:
Base-Base interactions energy: -132.441
where: short stacking energy: -54.863
Base-Backbone interact. energy: 0.745
local terms energy: -57.363052
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -5.636
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: 9, replica: 8
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -102.463914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.463914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.463914 (E_RNA)
where:
Base-Base interactions energy: -54.833
where: short stacking energy: -28.405
Base-Backbone interact. energy: 1.046
local terms energy: -48.676927
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -11.031
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -65.472918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.472918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.472918 (E_RNA)
where:
Base-Base interactions energy: -26.013
where: short stacking energy: -24.041
Base-Backbone interact. energy: -0.304
local terms energy: -39.155866
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -7.016
flat angles P-C4'-P energy: -6.780
tors. eta vs tors. theta energy: -0.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -214.139329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.139329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.139329 (E_RNA)
where:
Base-Base interactions energy: -141.155
where: short stacking energy: -65.326
Base-Backbone interact. energy: -0.587
local terms energy: -72.397344
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -18.788
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: 2, replica: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -211.843982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.843982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.843982 (E_RNA)
where:
Base-Base interactions energy: -141.872
where: short stacking energy: -62.725
Base-Backbone interact. energy: -0.878
local terms energy: -69.094059
where:
bonds (distance) C4'-P energy: -10.874
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -18.704
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: 5
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -213.509773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.509773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.509773 (E_RNA)
where:
Base-Base interactions energy: -142.013
where: short stacking energy: -65.358
Base-Backbone interact. energy: -0.813
local terms energy: -70.683928
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -11.354
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: 4, replica: 3
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -199.505949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.505949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.505949 (E_RNA)
where:
Base-Base interactions energy: -131.741
where: short stacking energy: -60.285
Base-Backbone interact. energy: -0.041
local terms energy: -67.723743
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -17.362
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: 5, replica: 2
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -187.684607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.684607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.684607 (E_RNA)
where:
Base-Base interactions energy: -129.974
where: short stacking energy: -56.120
Base-Backbone interact. energy: -0.014
local terms energy: -57.696571
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -11.582
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -11.760
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: 147
Temperature: 1.150000
Total energy: -191.217729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.217729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.217729 (E_RNA)
where:
Base-Base interactions energy: -135.034
where: short stacking energy: -57.215
Base-Backbone interact. energy: -0.307
local terms energy: -55.877140
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -5.575
tors. eta vs tors. theta energy: -12.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -180.993039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.993039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.993039 (E_RNA)
where:
Base-Base interactions energy: -123.256
where: short stacking energy: -52.713
Base-Backbone interact. energy: -0.001
local terms energy: -57.736295
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -9.409
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -11.759
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: 147
Temperature: 1.250000
Total energy: -177.879442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.879442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.879442 (E_RNA)
where:
Base-Base interactions energy: -121.756
where: short stacking energy: -49.258
Base-Backbone interact. energy: -0.185
local terms energy: -55.938674
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -12.568
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -7.599
tors. eta vs tors. theta energy: -11.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -76.761242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.761242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.761242 (E_RNA)
where:
Base-Base interactions energy: -36.459
where: short stacking energy: -18.618
Base-Backbone interact. energy: -0.751
local terms energy: -39.551069
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -10.030
flat angles P-C4'-P energy: -6.559
tors. eta vs tors. theta energy: 2.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -74.813815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.813815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.813815 (E_RNA)
where:
Base-Base interactions energy: -34.567
where: short stacking energy: -21.630
Base-Backbone interact. energy: 0.026
local terms energy: -40.272946
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -11.140
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -5.659
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: 6
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -213.488714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.488714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.488714 (E_RNA)
where:
Base-Base interactions energy: -140.489
where: short stacking energy: -69.498
Base-Backbone interact. energy: -0.017
local terms energy: -72.982507
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -20.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -207.310041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.310041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.310041 (E_RNA)
where:
Base-Base interactions energy: -139.551
where: short stacking energy: -63.793
Base-Backbone interact. energy: -0.123
local terms energy: -67.636315
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -17.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -201.548849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.548849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.548849 (E_RNA)
where:
Base-Base interactions energy: -135.062
where: short stacking energy: -65.523
Base-Backbone interact. energy: -0.238
local terms energy: -66.248697
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -16.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -206.253800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.253800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.253800 (E_RNA)
where:
Base-Base interactions energy: -141.371
where: short stacking energy: -59.618
Base-Backbone interact. energy: -0.530
local terms energy: -64.352610
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -9.215
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -15.467
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: 10
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -196.566192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.566192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.566192 (E_RNA)
where:
Base-Base interactions energy: -132.505
where: short stacking energy: -55.164
Base-Backbone interact. energy: -0.001
local terms energy: -64.060646
where:
bonds (distance) C4'-P energy: -9.846
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -17.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -196.122321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.122321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.122321 (E_RNA)
where:
Base-Base interactions energy: -131.835
where: short stacking energy: -55.323
Base-Backbone interact. energy: -0.136
local terms energy: -64.152001
where:
bonds (distance) C4'-P energy: -10.165
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -17.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -201.182181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.182181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.182181 (E_RNA)
where:
Base-Base interactions energy: -139.001
where: short stacking energy: -62.370
Base-Backbone interact. energy: -1.298
local terms energy: -60.883519
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -11.541
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -18.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -189.028117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.028117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.028117 (E_RNA)
where:
Base-Base interactions energy: -131.285
where: short stacking energy: -62.806
Base-Backbone interact. energy: -0.012
local terms energy: -57.731056
where:
bonds (distance) C4'-P energy: -9.185
bonds (distance) P-C4' energy: -9.655
flat angles C4'-P-C4' energy: -9.591
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -16.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -71.390383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.390383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.390383 (E_RNA)
where:
Base-Base interactions energy: -26.726
where: short stacking energy: -22.779
Base-Backbone interact. energy: -0.126
local terms energy: -44.538532
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -10.878
flat angles P-C4'-P energy: -7.453
tors. eta vs tors. theta energy: -3.448
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: 8
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -74.255912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.255912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.255912 (E_RNA)
where:
Base-Base interactions energy: -24.355
where: short stacking energy: -24.355
Base-Backbone interact. energy: -0.014
local terms energy: -49.886535
where:
bonds (distance) C4'-P energy: -10.190
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -9.642
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -6.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -212.119998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.119998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.119998 (E_RNA)
where:
Base-Base interactions energy: -144.160
where: short stacking energy: -66.049
Base-Backbone interact. energy: -0.412
local terms energy: -67.547390
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -18.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -208.851483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.851483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.851483 (E_RNA)
where:
Base-Base interactions energy: -141.869
where: short stacking energy: -66.921
Base-Backbone interact. energy: -0.010
local terms energy: -66.972573
where:
bonds (distance) C4'-P energy: -8.005
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -11.545
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: 3, replica: 4
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -202.180037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.180037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.180037 (E_RNA)
where:
Base-Base interactions energy: -138.115
where: short stacking energy: -67.284
Base-Backbone interact. energy: 0.108
local terms energy: -64.173597
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -10.097
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -16.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -199.121693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.121693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.121693 (E_RNA)
where:
Base-Base interactions energy: -142.108
where: short stacking energy: -57.642
Base-Backbone interact. energy: -0.267
local terms energy: -56.747558
where:
bonds (distance) C4'-P energy: -5.719
bonds (distance) P-C4' energy: -12.683
flat angles C4'-P-C4' energy: -11.394
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -16.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -198.738519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.738519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.738519 (E_RNA)
where:
Base-Base interactions energy: -136.573
where: short stacking energy: -61.286
Base-Backbone interact. energy: -0.022
local terms energy: -62.144199
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -9.602
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -15.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -190.998044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.998044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.998044 (E_RNA)
where:
Base-Base interactions energy: -127.594
where: short stacking energy: -51.904
Base-Backbone interact. energy: -0.621
local terms energy: -62.783162
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -16.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -183.684011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.684011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.684011 (E_RNA)
where:
Base-Base interactions energy: -126.433
where: short stacking energy: -52.269
Base-Backbone interact. energy: -0.279
local terms energy: -56.971197
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -5.438
tors. eta vs tors. theta energy: -14.741
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: 149
Temperature: 1.250000
Total energy: -180.912080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.912080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.912080 (E_RNA)
where:
Base-Base interactions energy: -124.574
where: short stacking energy: -56.301
Base-Backbone interact. energy: -0.002
local terms energy: -56.336482
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -7.512
flat angles C4'-P-C4' energy: -8.683
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -15.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -89.593076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.593076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.593076 (E_RNA)
where:
Base-Base interactions energy: -37.668
where: short stacking energy: -37.868
Base-Backbone interact. energy: -1.147
local terms energy: -50.777533
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -11.888
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -9.081
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: 10, replica: 8
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -73.319078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.319078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.319078 (E_RNA)
where:
Base-Base interactions energy: -30.558
where: short stacking energy: -30.558
Base-Backbone interact. energy: 1.530
local terms energy: -44.291406
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -10.088
flat angles C4'-P-C4' energy: -8.867
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: -5.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -213.007192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.007192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.007192 (E_RNA)
where:
Base-Base interactions energy: -146.836
where: short stacking energy: -62.705
Base-Backbone interact. energy: -0.000
local terms energy: -66.171279
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -12.605
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -18.531
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: 6
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -203.134271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.134271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.134271 (E_RNA)
where:
Base-Base interactions energy: -136.367
where: short stacking energy: -55.541
Base-Backbone interact. energy: -0.098
local terms energy: -66.669781
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -16.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -213.988869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.988869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.988869 (E_RNA)
where:
Base-Base interactions energy: -141.073
where: short stacking energy: -64.979
Base-Backbone interact. energy: -1.760
local terms energy: -71.155533
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -20.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -196.778089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.778089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.778089 (E_RNA)
where:
Base-Base interactions energy: -139.477
where: short stacking energy: -52.230
Base-Backbone interact. energy: -0.143
local terms energy: -57.158587
where:
bonds (distance) C4'-P energy: -8.668
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -4.884
tors. eta vs tors. theta energy: -15.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -200.938946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.938946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.938946 (E_RNA)
where:
Base-Base interactions energy: -139.848
where: short stacking energy: -62.815
Base-Backbone interact. energy: -0.000
local terms energy: -61.090859
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: -15.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -174.690358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.690358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.690358 (E_RNA)
where:
Base-Base interactions energy: -125.195
where: short stacking energy: -50.301
Base-Backbone interact. energy: -0.101
local terms energy: -49.393500
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -8.856
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -5.744
tors. eta vs tors. theta energy: -9.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -173.573241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.573241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.573241 (E_RNA)
where:
Base-Base interactions energy: -118.422
where: short stacking energy: -55.692
Base-Backbone interact. energy: -0.051
local terms energy: -55.100157
where:
bonds (distance) C4'-P energy: -6.717
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -2.962
tors. eta vs tors. theta energy: -17.256
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: 2
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -168.872516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.872516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.872516 (E_RNA)
where:
Base-Base interactions energy: -116.181
where: short stacking energy: -50.148
Base-Backbone interact. energy: -0.540
local terms energy: -52.151889
where:
bonds (distance) C4'-P energy: -10.307
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -10.206
flat angles P-C4'-P energy: -5.790
tors. eta vs tors. theta energy: -11.587
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: 8
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -69.063731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.063731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.063731 (E_RNA)
where:
Base-Base interactions energy: -28.626
where: short stacking energy: -27.995
Base-Backbone interact. energy: -1.688
local terms energy: -38.749931
where:
bonds (distance) C4'-P energy: -10.247
bonds (distance) P-C4' energy: -10.437
flat angles C4'-P-C4' energy: -8.451
flat angles P-C4'-P energy: -6.133
tors. eta vs tors. theta energy: -3.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -69.282147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.282147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.282147 (E_RNA)
where:
Base-Base interactions energy: -25.739
where: short stacking energy: -23.681
Base-Backbone interact. energy: -0.412
local terms energy: -43.131390
where:
bonds (distance) C4'-P energy: -9.370
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -11.130
flat angles P-C4'-P energy: -7.014
tors. eta vs tors. theta energy: -1.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -211.577203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.577203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.577203 (E_RNA)
where:
Base-Base interactions energy: -148.478
where: short stacking energy: -62.853
Base-Backbone interact. energy: -0.256
local terms energy: -62.843112
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -15.623
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: 10
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -211.724504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.724504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.724504 (E_RNA)
where:
Base-Base interactions energy: -137.776
where: short stacking energy: -70.089
Base-Backbone interact. energy: -0.212
local terms energy: -73.736398
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -20.904
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: 3, replica: 6
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -200.808405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.808405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.808405 (E_RNA)
where:
Base-Base interactions energy: -132.680
where: short stacking energy: -66.701
Base-Backbone interact. energy: -1.059
local terms energy: -67.068844
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -12.928
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -18.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -180.329625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.329625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.329625 (E_RNA)
where:
Base-Base interactions energy: -116.542
where: short stacking energy: -54.636
Base-Backbone interact. energy: -0.001
local terms energy: -63.786700
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -15.681
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: 4
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -190.840834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.840834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.840834 (E_RNA)
where:
Base-Base interactions energy: -126.671
where: short stacking energy: -49.432
Base-Backbone interact. energy: -0.456
local terms energy: -63.713648
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -13.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -199.860326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.860326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.860326 (E_RNA)
where:
Base-Base interactions energy: -134.796
where: short stacking energy: -65.675
Base-Backbone interact. energy: 0.231
local terms energy: -65.295182
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -18.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -180.508437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.508437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.508437 (E_RNA)
where:
Base-Base interactions energy: -127.595
where: short stacking energy: -57.618
Base-Backbone interact. energy: -0.146
local terms energy: -52.767015
where:
bonds (distance) C4'-P energy: -4.585
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -14.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -189.538091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.538091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.538091 (E_RNA)
where:
Base-Base interactions energy: -125.824
where: short stacking energy: -54.217
Base-Backbone interact. energy: -0.236
local terms energy: -63.478792
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -11.670
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -14.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -87.500243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.500243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.500243 (E_RNA)
where:
Base-Base interactions energy: -39.901
where: short stacking energy: -28.317
Base-Backbone interact. energy: -0.111
local terms energy: -47.487865
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -9.571
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -4.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -66.411414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.411414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.411414 (E_RNA)
where:
Base-Base interactions energy: -25.649
where: short stacking energy: -19.968
Base-Backbone interact. energy: -0.121
local terms energy: -40.640621
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -10.707
flat angles C4'-P-C4' energy: -10.405
flat angles P-C4'-P energy: -6.914
tors. eta vs tors. theta energy: -0.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -212.116274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.116274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.116274 (E_RNA)
where:
Base-Base interactions energy: -144.063
where: short stacking energy: -62.522
Base-Backbone interact. energy: -1.355
local terms energy: -66.698060
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -17.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -208.461058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.461058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.461058 (E_RNA)
where:
Base-Base interactions energy: -140.457
where: short stacking energy: -66.444
Base-Backbone interact. energy: -1.176
local terms energy: -66.827259
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -18.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -182.500025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.500025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.500025 (E_RNA)
where:
Base-Base interactions energy: -116.387
where: short stacking energy: -50.695
Base-Backbone interact. energy: -0.706
local terms energy: -65.406632
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -14.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -197.500436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.500436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.500436 (E_RNA)
where:
Base-Base interactions energy: -136.890
where: short stacking energy: -64.557
Base-Backbone interact. energy: -0.003
local terms energy: -60.606829
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -14.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -198.397163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.397163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.397163 (E_RNA)
where:
Base-Base interactions energy: -134.872
where: short stacking energy: -64.500
Base-Backbone interact. energy: -0.005
local terms energy: -63.520379
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -17.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -196.143463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.143463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.143463 (E_RNA)
where:
Base-Base interactions energy: -138.218
where: short stacking energy: -60.473
Base-Backbone interact. energy: 0.856
local terms energy: -58.781009
where:
bonds (distance) C4'-P energy: -11.816
bonds (distance) P-C4' energy: -10.365
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: -13.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -193.245711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.245711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.245711 (E_RNA)
where:
Base-Base interactions energy: -132.246
where: short stacking energy: -57.761
Base-Backbone interact. energy: -0.616
local terms energy: -60.382990
where:
bonds (distance) C4'-P energy: -11.298
bonds (distance) P-C4' energy: -11.655
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: -14.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -188.191243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.191243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.191243 (E_RNA)
where:
Base-Base interactions energy: -137.173
where: short stacking energy: -62.946
Base-Backbone interact. energy: -0.280
local terms energy: -50.737730
where:
bonds (distance) C4'-P energy: -5.816
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -10.855
flat angles P-C4'-P energy: -5.986
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: 9, replica: 8
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -72.693046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.693046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.693046 (E_RNA)
where:
Base-Base interactions energy: -29.027
where: short stacking energy: -29.027
Base-Backbone interact. energy: -0.178
local terms energy: -43.487778
where:
bonds (distance) C4'-P energy: -8.750
bonds (distance) P-C4' energy: -15.788
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -4.445
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: 7
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -70.054251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.054251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.054251 (E_RNA)
where:
Base-Base interactions energy: -32.454
where: short stacking energy: -15.562
Base-Backbone interact. energy: 0.478
local terms energy: -38.078649
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -10.726
flat angles P-C4'-P energy: -3.686
tors. eta vs tors. theta energy: 3.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -207.668295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.668295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.668295 (E_RNA)
where:
Base-Base interactions energy: -140.438
where: short stacking energy: -66.550
Base-Backbone interact. energy: -0.007
local terms energy: -67.223117
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -12.929
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -15.556
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: 2, replica: 5
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -196.821920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.821920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.821920 (E_RNA)
where:
Base-Base interactions energy: -135.467
where: short stacking energy: -53.709
Base-Backbone interact. energy: -0.307
local terms energy: -61.048317
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -5.895
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: 3, replica: 3
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -205.355073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.355073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.355073 (E_RNA)
where:
Base-Base interactions energy: -137.611
where: short stacking energy: -65.540
Base-Backbone interact. energy: -0.568
local terms energy: -67.176127
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -17.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -203.215389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.215389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.215389 (E_RNA)
where:
Base-Base interactions energy: -138.290
where: short stacking energy: -64.133
Base-Backbone interact. energy: -0.001
local terms energy: -64.924588
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -9.551
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -12.661
tors. eta vs tors. theta energy: -16.187
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: 6
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -200.012910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.012910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.012910 (E_RNA)
where:
Base-Base interactions energy: -140.388
where: short stacking energy: -66.621
Base-Backbone interact. energy: -0.008
local terms energy: -59.616729
where:
bonds (distance) C4'-P energy: -8.543
bonds (distance) P-C4' energy: -11.498
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -15.451
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: 6, replica: 4
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -186.239783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.239783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.239783 (E_RNA)
where:
Base-Base interactions energy: -127.654
where: short stacking energy: -48.252
Base-Backbone interact. energy: -0.527
local terms energy: -58.058963
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -10.304
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -12.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -181.723825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.723825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.723825 (E_RNA)
where:
Base-Base interactions energy: -126.088
where: short stacking energy: -49.797
Base-Backbone interact. energy: -0.211
local terms energy: -55.425517
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -11.142
flat angles C4'-P-C4' energy: -12.107
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -11.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -172.112225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.112225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.112225 (E_RNA)
where:
Base-Base interactions energy: -122.220
where: short stacking energy: -52.118
Base-Backbone interact. energy: -0.395
local terms energy: -49.497088
where:
bonds (distance) C4'-P energy: -9.706
bonds (distance) P-C4' energy: -10.856
flat angles C4'-P-C4' energy: -11.947
flat angles P-C4'-P energy: -4.838
tors. eta vs tors. theta energy: -12.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -64.144605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.144605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.144605 (E_RNA)
where:
Base-Base interactions energy: -22.403
where: short stacking energy: -19.763
Base-Backbone interact. energy: -0.269
local terms energy: -41.471953
where:
bonds (distance) C4'-P energy: -9.211
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -9.914
flat angles P-C4'-P energy: -4.944
tors. eta vs tors. theta energy: -1.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -70.213374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.213374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.213374 (E_RNA)
where:
Base-Base interactions energy: -30.101
where: short stacking energy: -15.643
Base-Backbone interact. energy: -0.086
local terms energy: -40.026807
where:
bonds (distance) C4'-P energy: -8.414
bonds (distance) P-C4' energy: -12.131
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -2.404
tors. eta vs tors. theta energy: -2.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -211.656400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.656400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.656400 (E_RNA)
where:
Base-Base interactions energy: -140.410
where: short stacking energy: -57.458
Base-Backbone interact. energy: -0.007
local terms energy: -71.239706
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -11.024
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: 2, replica: 5
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -205.335117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.335117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.335117 (E_RNA)
where:
Base-Base interactions energy: -137.259
where: short stacking energy: -57.214
Base-Backbone interact. energy: -0.001
local terms energy: -68.074372
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -15.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -209.414012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.414012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.414012 (E_RNA)
where:
Base-Base interactions energy: -144.411
where: short stacking energy: -66.896
Base-Backbone interact. energy: -0.001
local terms energy: -65.001669
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -16.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -201.694004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.694004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.694004 (E_RNA)
where:
Base-Base interactions energy: -140.709
where: short stacking energy: -61.329
Base-Backbone interact. energy: -0.000
local terms energy: -60.984935
where:
bonds (distance) C4'-P energy: -9.639
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -10.821
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -19.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -196.504388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.504388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.504388 (E_RNA)
where:
Base-Base interactions energy: -135.613
where: short stacking energy: -59.339
Base-Backbone interact. energy: -0.003
local terms energy: -60.888410
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -5.547
tors. eta vs tors. theta energy: -15.323
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: 6
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -191.052244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.052244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.052244 (E_RNA)
where:
Base-Base interactions energy: -129.906
where: short stacking energy: -57.745
Base-Backbone interact. energy: -0.002
local terms energy: -61.144539
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -9.757
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -16.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -181.637425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.637425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.637425 (E_RNA)
where:
Base-Base interactions energy: -127.362
where: short stacking energy: -55.612
Base-Backbone interact. energy: -0.127
local terms energy: -54.148580
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -9.343
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -12.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -151.895933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.895933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.895933 (E_RNA)
where:
Base-Base interactions energy: -107.289
where: short stacking energy: -39.075
Base-Backbone interact. energy: -0.117
local terms energy: -44.489859
where:
bonds (distance) C4'-P energy: -8.605
bonds (distance) P-C4' energy: -12.115
flat angles C4'-P-C4' energy: -11.325
flat angles P-C4'-P energy: -4.431
tors. eta vs tors. theta energy: -8.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -78.240066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.240066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.240066 (E_RNA)
where:
Base-Base interactions energy: -29.190
where: short stacking energy: -29.069
Base-Backbone interact. energy: -0.105
local terms energy: -48.945294
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -10.458
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -4.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -71.041468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.041468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.041468 (E_RNA)
where:
Base-Base interactions energy: -34.508
where: short stacking energy: -34.508
Base-Backbone interact. energy: 1.932
local terms energy: -38.465238
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -4.036
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: -2.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -210.677983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.677983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.677983 (E_RNA)
where:
Base-Base interactions energy: -141.961
where: short stacking energy: -64.532
Base-Backbone interact. energy: -0.280
local terms energy: -68.436850
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -16.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -206.331996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.331996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.331996 (E_RNA)
where:
Base-Base interactions energy: -133.752
where: short stacking energy: -54.576
Base-Backbone interact. energy: -0.003
local terms energy: -72.576868
where:
bonds (distance) C4'-P energy: -15.724
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -16.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -205.003018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.003018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.003018 (E_RNA)
where:
Base-Base interactions energy: -135.179
where: short stacking energy: -61.288
Base-Backbone interact. energy: -0.005
local terms energy: -69.818765
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -19.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -205.389737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.389737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.389737 (E_RNA)
where:
Base-Base interactions energy: -139.195
where: short stacking energy: -64.204
Base-Backbone interact. energy: -0.674
local terms energy: -65.520842
where:
bonds (distance) C4'-P energy: -10.595
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -19.096
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: 3
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -198.181666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.181666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.181666 (E_RNA)
where:
Base-Base interactions energy: -131.564
where: short stacking energy: -61.730
Base-Backbone interact. energy: -0.031
local terms energy: -66.587104
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -11.080
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -18.569
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: 6
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -199.337036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.337036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.337036 (E_RNA)
where:
Base-Base interactions energy: -140.013
where: short stacking energy: -62.716
Base-Backbone interact. energy: -0.279
local terms energy: -59.044594
where:
bonds (distance) C4'-P energy: -9.044
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -18.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -196.476441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.476441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.476441 (E_RNA)
where:
Base-Base interactions energy: -135.815
where: short stacking energy: -58.659
Base-Backbone interact. energy: -0.652
local terms energy: -60.010349
where:
bonds (distance) C4'-P energy: -9.242
bonds (distance) P-C4' energy: -11.817
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -17.792
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: 9
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -181.695536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.695536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.695536 (E_RNA)
where:
Base-Base interactions energy: -127.680
where: short stacking energy: -57.988
Base-Backbone interact. energy: -0.220
local terms energy: -53.796052
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -7.502
flat angles C4'-P-C4' energy: -10.957
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -13.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -74.781161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.781161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.781161 (E_RNA)
where:
Base-Base interactions energy: -35.110
where: short stacking energy: -26.045
Base-Backbone interact. energy: -0.130
local terms energy: -39.541411
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -4.866
flat angles P-C4'-P energy: 0.404
tors. eta vs tors. theta energy: -7.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -69.526484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.526484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.526484 (E_RNA)
where:
Base-Base interactions energy: -31.056
where: short stacking energy: -24.390
Base-Backbone interact. energy: -0.048
local terms energy: -38.422656
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -8.812
flat angles P-C4'-P energy: -5.863
tors. eta vs tors. theta energy: -1.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -205.584540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.584540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.584540 (E_RNA)
where:
Base-Base interactions energy: -141.838
where: short stacking energy: -64.937
Base-Backbone interact. energy: -0.616
local terms energy: -63.130354
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -11.808
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -15.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -214.339672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.339672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.339672 (E_RNA)
where:
Base-Base interactions energy: -142.456
where: short stacking energy: -58.099
Base-Backbone interact. energy: -0.360
local terms energy: -71.523329
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -16.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -207.965612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.965612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.965612 (E_RNA)
where:
Base-Base interactions energy: -146.535
where: short stacking energy: -63.611
Base-Backbone interact. energy: -0.006
local terms energy: -61.425047
where:
bonds (distance) C4'-P energy: -9.999
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -12.823
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: 156
Temperature: 1.050000
Total energy: -206.134072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.134072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.134072 (E_RNA)
where:
Base-Base interactions energy: -140.254
where: short stacking energy: -66.852
Base-Backbone interact. energy: -0.006
local terms energy: -65.873591
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -18.194
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: 6
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -195.639445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.639445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.639445 (E_RNA)
where:
Base-Base interactions energy: -141.333
where: short stacking energy: -55.504
Base-Backbone interact. energy: -0.606
local terms energy: -53.701260
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -10.833
flat angles C4'-P-C4' energy: -9.239
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -11.243
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: 3
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -193.197495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.197495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.197495 (E_RNA)
where:
Base-Base interactions energy: -128.141
where: short stacking energy: -54.293
Base-Backbone interact. energy: -0.335
local terms energy: -64.721211
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -14.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -194.200730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.200730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.200730 (E_RNA)
where:
Base-Base interactions energy: -126.497
where: short stacking energy: -54.675
Base-Backbone interact. energy: -0.093
local terms energy: -67.611030
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -9.786
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: 8, replica: 2
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -165.205598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.205598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.205598 (E_RNA)
where:
Base-Base interactions energy: -121.260
where: short stacking energy: -56.794
Base-Backbone interact. energy: -0.448
local terms energy: -43.497263
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -9.914
flat angles C4'-P-C4' energy: -7.826
flat angles P-C4'-P energy: -4.733
tors. eta vs tors. theta energy: -9.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -87.438780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.438780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.438780 (E_RNA)
where:
Base-Base interactions energy: -42.186
where: short stacking energy: -31.086
Base-Backbone interact. energy: 1.462
local terms energy: -46.714088
where:
bonds (distance) C4'-P energy: -10.753
bonds (distance) P-C4' energy: -9.651
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -5.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -69.266497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.266497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.266497 (E_RNA)
where:
Base-Base interactions energy: -33.689
where: short stacking energy: -27.182
Base-Backbone interact. energy: -0.321
local terms energy: -35.256789
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -4.456
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -0.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -209.113633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.113633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.113633 (E_RNA)
where:
Base-Base interactions energy: -142.551
where: short stacking energy: -66.034
Base-Backbone interact. energy: -0.000
local terms energy: -66.562277
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -10.463
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: 2, replica: 4
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -209.600436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.600436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.600436 (E_RNA)
where:
Base-Base interactions energy: -142.749
where: short stacking energy: -67.362
Base-Backbone interact. energy: -0.202
local terms energy: -66.649331
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -10.511
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: 1
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -198.562899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.562899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.562899 (E_RNA)
where:
Base-Base interactions energy: -131.392
where: short stacking energy: -58.845
Base-Backbone interact. energy: -1.254
local terms energy: -65.916772
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: -16.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -200.892054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.892054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.892054 (E_RNA)
where:
Base-Base interactions energy: -139.005
where: short stacking energy: -61.478
Base-Backbone interact. energy: -0.035
local terms energy: -61.851776
where:
bonds (distance) C4'-P energy: -10.334
bonds (distance) P-C4' energy: -11.191
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -16.021
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: 6
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -197.358963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.358963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.358963 (E_RNA)
where:
Base-Base interactions energy: -132.142
where: short stacking energy: -60.974
Base-Backbone interact. energy: -0.001
local terms energy: -65.216114
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: -16.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -198.053769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.053769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.053769 (E_RNA)
where:
Base-Base interactions energy: -132.291
where: short stacking energy: -55.950
Base-Backbone interact. energy: -0.438
local terms energy: -65.324311
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -18.202
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: 7, replica: 3
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -192.598993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.598993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.598993 (E_RNA)
where:
Base-Base interactions energy: -127.042
where: short stacking energy: -53.747
Base-Backbone interact. energy: -0.299
local terms energy: -65.257170
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -11.105
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -15.038
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: 2
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -181.149170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.149170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.149170 (E_RNA)
where:
Base-Base interactions energy: -128.715
where: short stacking energy: -54.997
Base-Backbone interact. energy: -0.000
local terms energy: -52.434053
where:
bonds (distance) C4'-P energy: -8.961
bonds (distance) P-C4' energy: -10.007
flat angles C4'-P-C4' energy: -9.472
flat angles P-C4'-P energy: -5.000
tors. eta vs tors. theta energy: -18.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -83.537765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.537765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.537765 (E_RNA)
where:
Base-Base interactions energy: -36.753
where: short stacking energy: -19.334
Base-Backbone interact. energy: -0.571
local terms energy: -46.214052
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: 1.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -78.132190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.132190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.132190 (E_RNA)
where:
Base-Base interactions energy: -36.350
where: short stacking energy: -27.347
Base-Backbone interact. energy: 0.524
local terms energy: -42.306937
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -2.277
tors. eta vs tors. theta energy: -3.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -212.368338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.368338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.368338 (E_RNA)
where:
Base-Base interactions energy: -144.614
where: short stacking energy: -71.779
Base-Backbone interact. energy: -0.000
local terms energy: -67.754271
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -19.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -208.677848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.677848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.677848 (E_RNA)
where:
Base-Base interactions energy: -138.079
where: short stacking energy: -64.778
Base-Backbone interact. energy: -0.154
local terms energy: -70.445425
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -5.940
tors. eta vs tors. theta energy: -19.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -206.240425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.240425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.240425 (E_RNA)
where:
Base-Base interactions energy: -143.066
where: short stacking energy: -67.638
Base-Backbone interact. energy: -0.042
local terms energy: -63.132718
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -18.236
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: 1
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -203.335735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.335735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.335735 (E_RNA)
where:
Base-Base interactions energy: -138.392
where: short stacking energy: -62.896
Base-Backbone interact. energy: -0.059
local terms energy: -64.884356
where:
bonds (distance) C4'-P energy: -10.329
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -15.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -198.706050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.706050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.706050 (E_RNA)
where:
Base-Base interactions energy: -141.035
where: short stacking energy: -53.419
Base-Backbone interact. energy: -0.620
local terms energy: -57.051092
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -10.379
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -15.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -190.312055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.312055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.312055 (E_RNA)
where:
Base-Base interactions energy: -130.053
where: short stacking energy: -57.845
Base-Backbone interact. energy: -0.010
local terms energy: -60.249551
where:
bonds (distance) C4'-P energy: -9.561
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -16.472
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: 158
Temperature: 1.200000
Total energy: -200.860281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.860281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.860281 (E_RNA)
where:
Base-Base interactions energy: -139.933
where: short stacking energy: -66.747
Base-Backbone interact. energy: -0.148
local terms energy: -60.779197
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -10.382
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -8.688
tors. eta vs tors. theta energy: -19.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -189.975853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.975853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.975853 (E_RNA)
where:
Base-Base interactions energy: -129.830
where: short stacking energy: -52.047
Base-Backbone interact. energy: -0.059
local terms energy: -60.086837
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -10.398
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -15.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -77.825102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.825102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.825102 (E_RNA)
where:
Base-Base interactions energy: -31.105
where: short stacking energy: -26.090
Base-Backbone interact. energy: -0.053
local terms energy: -46.667701
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -8.608
flat angles C4'-P-C4' energy: -8.210
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -9.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -73.225460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.225460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.225460 (E_RNA)
where:
Base-Base interactions energy: -32.837
where: short stacking energy: -26.478
Base-Backbone interact. energy: -0.070
local terms energy: -40.318383
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -9.989
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -5.391
tors. eta vs tors. theta energy: 1.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -210.914330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.914330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.914330 (E_RNA)
where:
Base-Base interactions energy: -142.733
where: short stacking energy: -70.130
Base-Backbone interact. energy: -0.000
local terms energy: -68.181284
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -17.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -205.151762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.151762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.151762 (E_RNA)
where:
Base-Base interactions energy: -135.899
where: short stacking energy: -63.223
Base-Backbone interact. energy: -1.483
local terms energy: -67.769715
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -17.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -201.647352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.647352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.647352 (E_RNA)
where:
Base-Base interactions energy: -143.341
where: short stacking energy: -63.810
Base-Backbone interact. energy: -0.001
local terms energy: -58.305152
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -10.240
flat angles C4'-P-C4' energy: -9.675
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -17.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -207.837754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.837754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.837754 (E_RNA)
where:
Base-Base interactions energy: -144.726
where: short stacking energy: -57.392
Base-Backbone interact. energy: -0.383
local terms energy: -62.728340
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -10.635
flat angles C4'-P-C4' energy: -12.473
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -14.234
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: 9
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -202.175698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.175698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.175698 (E_RNA)
where:
Base-Base interactions energy: -138.069
where: short stacking energy: -61.431
Base-Backbone interact. energy: -0.000
local terms energy: -64.105979
where:
bonds (distance) C4'-P energy: -7.396
bonds (distance) P-C4' energy: -10.430
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -13.071
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: 6, replica: 2
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -193.667660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.667660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.667660 (E_RNA)
where:
Base-Base interactions energy: -134.581
where: short stacking energy: -57.523
Base-Backbone interact. energy: -0.148
local terms energy: -58.938047
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -10.987
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: -17.316
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: 6
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -181.041778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.041778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.041778 (E_RNA)
where:
Base-Base interactions energy: -126.000
where: short stacking energy: -54.162
Base-Backbone interact. energy: -0.220
local terms energy: -54.821927
where:
bonds (distance) C4'-P energy: -9.297
bonds (distance) P-C4' energy: -12.480
flat angles C4'-P-C4' energy: -11.704
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -10.982
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: 3
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -182.694911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.694911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.694911 (E_RNA)
where:
Base-Base interactions energy: -129.290
where: short stacking energy: -50.773
Base-Backbone interact. energy: 0.208
local terms energy: -53.613622
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -11.497
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -13.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -77.791604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.791604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.791604 (E_RNA)
where:
Base-Base interactions energy: -29.902
where: short stacking energy: -29.902
Base-Backbone interact. energy: 0.282
local terms energy: -48.171478
where:
bonds (distance) C4'-P energy: -10.021
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -3.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -66.005361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.005361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.005361 (E_RNA)
where:
Base-Base interactions energy: -26.785
where: short stacking energy: -26.785
Base-Backbone interact. energy: -0.071
local terms energy: -39.149208
where:
bonds (distance) C4'-P energy: -7.573
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -8.802
flat angles P-C4'-P energy: -4.684
tors. eta vs tors. theta energy: -4.508
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: 4
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -214.301841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.301841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.301841 (E_RNA)
where:
Base-Base interactions energy: -145.300
where: short stacking energy: -59.837
Base-Backbone interact. energy: -0.003
local terms energy: -68.998293
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -11.643
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -17.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -206.473395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.473395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.473395 (E_RNA)
where:
Base-Base interactions energy: -147.256
where: short stacking energy: -68.284
Base-Backbone interact. energy: -0.000
local terms energy: -59.217530
where:
bonds (distance) C4'-P energy: -10.364
bonds (distance) P-C4' energy: -7.876
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -17.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -204.798701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.798701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.798701 (E_RNA)
where:
Base-Base interactions energy: -138.927
where: short stacking energy: -62.536
Base-Backbone interact. energy: -0.004
local terms energy: -65.867932
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -10.048
flat angles P-C4'-P energy: -7.897
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: 4, replica: 1
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -203.033735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.033735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.033735 (E_RNA)
where:
Base-Base interactions energy: -136.500
where: short stacking energy: -62.625
Base-Backbone interact. energy: -1.348
local terms energy: -65.186308
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -9.897
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -15.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -192.758398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.758398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.758398 (E_RNA)
where:
Base-Base interactions energy: -133.397
where: short stacking energy: -54.763
Base-Backbone interact. energy: -0.117
local terms energy: -59.244030
where:
bonds (distance) C4'-P energy: -10.309
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -14.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -193.013463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.013463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.013463 (E_RNA)
where:
Base-Base interactions energy: -137.205
where: short stacking energy: -55.117
Base-Backbone interact. energy: -0.541
local terms energy: -55.267571
where:
bonds (distance) C4'-P energy: -8.287
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -9.109
flat angles P-C4'-P energy: -6.199
tors. eta vs tors. theta energy: -17.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -170.233402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.233402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.233402 (E_RNA)
where:
Base-Base interactions energy: -126.524
where: short stacking energy: -42.635
Base-Backbone interact. energy: -0.111
local terms energy: -43.598977
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -8.538
flat angles C4'-P-C4' energy: -9.210
flat angles P-C4'-P energy: -5.733
tors. eta vs tors. theta energy: -8.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -186.433551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.433551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.433551 (E_RNA)
where:
Base-Base interactions energy: -127.255
where: short stacking energy: -56.971
Base-Backbone interact. energy: -0.086
local terms energy: -59.092256
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -6.449
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -15.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -92.053192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.053192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.053192 (E_RNA)
where:
Base-Base interactions energy: -40.648
where: short stacking energy: -35.245
Base-Backbone interact. energy: -0.364
local terms energy: -51.040926
where:
bonds (distance) C4'-P energy: -7.668
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -8.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -72.656068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.656068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.656068 (E_RNA)
where:
Base-Base interactions energy: -31.676
where: short stacking energy: -27.401
Base-Backbone interact. energy: -0.325
local terms energy: -40.655453
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -1.245
tors. eta vs tors. theta energy: -0.607
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: 4
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -209.840193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.840193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.840193 (E_RNA)
where:
Base-Base interactions energy: -139.109
where: short stacking energy: -59.655
Base-Backbone interact. energy: -0.573
local terms energy: -70.158188
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -17.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -213.880474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.880474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.880474 (E_RNA)
where:
Base-Base interactions energy: -142.497
where: short stacking energy: -71.174
Base-Backbone interact. energy: -0.819
local terms energy: -70.564737
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -17.980
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: 10
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -202.382166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.382166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.382166 (E_RNA)
where:
Base-Base interactions energy: -139.039
where: short stacking energy: -59.279
Base-Backbone interact. energy: -0.220
local terms energy: -63.123108
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -14.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -201.416601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.416601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.416601 (E_RNA)
where:
Base-Base interactions energy: -137.703
where: short stacking energy: -62.196
Base-Backbone interact. energy: -0.002
local terms energy: -63.711876
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -9.870
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -17.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -205.167027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.167027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.167027 (E_RNA)
where:
Base-Base interactions energy: -137.823
where: short stacking energy: -64.891
Base-Backbone interact. energy: 0.072
local terms energy: -67.415529
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -18.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -195.341667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.341667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.341667 (E_RNA)
where:
Base-Base interactions energy: -132.378
where: short stacking energy: -59.359
Base-Backbone interact. energy: -0.001
local terms energy: -62.962670
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -16.691
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: 3
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -179.209324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.209324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.209324 (E_RNA)
where:
Base-Base interactions energy: -124.113
where: short stacking energy: -56.379
Base-Backbone interact. energy: -0.023
local terms energy: -55.073070
where:
bonds (distance) C4'-P energy: -5.970
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: -15.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -184.679327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.679327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.679327 (E_RNA)
where:
Base-Base interactions energy: -125.370
where: short stacking energy: -54.312
Base-Backbone interact. energy: -0.022
local terms energy: -59.287364
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -10.538
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -12.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -92.783606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.783606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.783606 (E_RNA)
where:
Base-Base interactions energy: -44.702
where: short stacking energy: -24.902
Base-Backbone interact. energy: 0.114
local terms energy: -48.195834
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -8.883
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -4.430
tors. eta vs tors. theta energy: -10.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -85.124554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.124554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.124554 (E_RNA)
where:
Base-Base interactions energy: -36.133
where: short stacking energy: -33.709
Base-Backbone interact. energy: -0.032
local terms energy: -48.959388
where:
bonds (distance) C4'-P energy: -8.377
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -3.526
tors. eta vs tors. theta energy: -10.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -210.569169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.569169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.569169 (E_RNA)
where:
Base-Base interactions energy: -152.919
where: short stacking energy: -62.903
Base-Backbone interact. energy: -0.671
local terms energy: -56.979137
where:
bonds (distance) C4'-P energy: -8.215
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -3.293
tors. eta vs tors. theta energy: -16.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -212.340006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.340006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.340006 (E_RNA)
where:
Base-Base interactions energy: -143.767
where: short stacking energy: -66.431
Base-Backbone interact. energy: -0.008
local terms energy: -68.564993
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -12.133
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -9.242
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: 3, replica: 1
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -204.880690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.880690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.880690 (E_RNA)
where:
Base-Base interactions energy: -138.830
where: short stacking energy: -65.221
Base-Backbone interact. energy: -0.014
local terms energy: -66.036303
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -18.437
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: 10
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -195.952984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.952984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.952984 (E_RNA)
where:
Base-Base interactions energy: -127.571
where: short stacking energy: -59.845
Base-Backbone interact. energy: -0.004
local terms energy: -68.377267
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -16.861
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: 2
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -197.820476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.820476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.820476 (E_RNA)
where:
Base-Base interactions energy: -132.763
where: short stacking energy: -58.202
Base-Backbone interact. energy: -0.012
local terms energy: -65.045585
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -10.280
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -15.338
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: 9
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -188.871906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.871906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.871906 (E_RNA)
where:
Base-Base interactions energy: -135.575
where: short stacking energy: -58.063
Base-Backbone interact. energy: -0.357
local terms energy: -52.939746
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -11.101
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -4.632
tors. eta vs tors. theta energy: -11.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -192.249481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.249481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.249481 (E_RNA)
where:
Base-Base interactions energy: -132.935
where: short stacking energy: -65.514
Base-Backbone interact. energy: -0.234
local terms energy: -59.080928
where:
bonds (distance) C4'-P energy: -11.555
bonds (distance) P-C4' energy: -9.476
flat angles C4'-P-C4' energy: -9.532
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -20.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -183.086024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.086024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.086024 (E_RNA)
where:
Base-Base interactions energy: -127.517
where: short stacking energy: -58.746
Base-Backbone interact. energy: 0.813
local terms energy: -56.382497
where:
bonds (distance) C4'-P energy: -9.363
bonds (distance) P-C4' energy: -11.035
flat angles C4'-P-C4' energy: -11.219
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -17.419
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: 9, replica: 7
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -82.576026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.576026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.576026 (E_RNA)
where:
Base-Base interactions energy: -44.690
where: short stacking energy: -22.695
Base-Backbone interact. energy: -0.960
local terms energy: -36.926148
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -9.676
flat angles C4'-P-C4' energy: -9.837
flat angles P-C4'-P energy: -4.675
tors. eta vs tors. theta energy: -0.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -69.180502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.180502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.180502 (E_RNA)
where:
Base-Base interactions energy: -18.225
where: short stacking energy: -15.807
Base-Backbone interact. energy: 0.068
local terms energy: -51.023724
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -9.956
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -4.841
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: 163
Temperature: 0.900000
Total energy: -211.253652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.253652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.253652 (E_RNA)
where:
Base-Base interactions energy: -138.512
where: short stacking energy: -63.939
Base-Backbone interact. energy: -0.749
local terms energy: -71.992831
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -10.133
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: 2, replica: 1
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -205.019336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.019336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.019336 (E_RNA)
where:
Base-Base interactions energy: -139.744
where: short stacking energy: -65.475
Base-Backbone interact. energy: -0.000
local terms energy: -65.275290
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -8.914
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: 3, replica: 5
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -205.469696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.469696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.469696 (E_RNA)
where:
Base-Base interactions energy: -137.597
where: short stacking energy: -57.257
Base-Backbone interact. energy: -1.456
local terms energy: -66.416476
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -15.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -196.387453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.387453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.387453 (E_RNA)
where:
Base-Base interactions energy: -134.926
where: short stacking energy: -59.431
Base-Backbone interact. energy: -0.091
local terms energy: -61.370528
where:
bonds (distance) C4'-P energy: -9.631
bonds (distance) P-C4' energy: -11.903
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -17.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -195.146389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.146389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.146389 (E_RNA)
where:
Base-Base interactions energy: -138.846
where: short stacking energy: -56.018
Base-Backbone interact. energy: -0.377
local terms energy: -55.923444
where:
bonds (distance) C4'-P energy: -9.351
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -11.033
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -12.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -190.422473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.422473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.422473 (E_RNA)
where:
Base-Base interactions energy: -130.513
where: short stacking energy: -58.901
Base-Backbone interact. energy: -0.003
local terms energy: -59.906447
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -6.513
tors. eta vs tors. theta energy: -15.295
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: 6
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -186.818715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.818715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.818715 (E_RNA)
where:
Base-Base interactions energy: -130.039
where: short stacking energy: -52.903
Base-Backbone interact. energy: -0.148
local terms energy: -56.631746
where:
bonds (distance) C4'-P energy: -9.378
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -9.491
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -15.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -194.795516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.795516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.795516 (E_RNA)
where:
Base-Base interactions energy: -136.735
where: short stacking energy: -59.233
Base-Backbone interact. energy: -0.006
local terms energy: -58.053951
where:
bonds (distance) C4'-P energy: -9.015
bonds (distance) P-C4' energy: -9.501
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -15.945
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: 163
Temperature: 1.300000
Total energy: -70.572295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.572295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.572295 (E_RNA)
where:
Base-Base interactions energy: -35.527
where: short stacking energy: -15.905
Base-Backbone interact. energy: -0.099
local terms energy: -34.946321
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -10.685
flat angles C4'-P-C4' energy: -10.085
flat angles P-C4'-P energy: -5.915
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: 10, replica: 8
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -73.303607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.303607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.303607 (E_RNA)
where:
Base-Base interactions energy: -29.103
where: short stacking energy: -29.103
Base-Backbone interact. energy: -0.001
local terms energy: -44.198868
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -6.794
flat angles C4'-P-C4' energy: -9.582
flat angles P-C4'-P energy: -4.501
tors. eta vs tors. theta energy: -11.182
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: 1, replica: 4
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -210.665056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.665056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.665056 (E_RNA)
where:
Base-Base interactions energy: -139.792
where: short stacking energy: -67.487
Base-Backbone interact. energy: -0.012
local terms energy: -70.861227
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -13.288
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -18.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -214.318937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.318937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.318937 (E_RNA)
where:
Base-Base interactions energy: -149.638
where: short stacking energy: -66.027
Base-Backbone interact. energy: -0.832
local terms energy: -63.848462
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -13.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -205.936416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.936416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.936416 (E_RNA)
where:
Base-Base interactions energy: -139.892
where: short stacking energy: -55.921
Base-Backbone interact. energy: -0.521
local terms energy: -65.522908
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -15.115
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: 4, replica: 5
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -206.542523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.542523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.542523 (E_RNA)
where:
Base-Base interactions energy: -139.979
where: short stacking energy: -52.440
Base-Backbone interact. energy: -0.059
local terms energy: -66.503937
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -11.086
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -12.457
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: 5, replica: 9
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -199.610502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.610502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.610502 (E_RNA)
where:
Base-Base interactions energy: -142.810
where: short stacking energy: -59.130
Base-Backbone interact. energy: -0.078
local terms energy: -56.722847
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -9.235
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -5.088
tors. eta vs tors. theta energy: -16.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -194.454157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.454157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.454157 (E_RNA)
where:
Base-Base interactions energy: -126.989
where: short stacking energy: -61.636
Base-Backbone interact. energy: -0.004
local terms energy: -67.461515
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -15.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -190.158780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.158780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.158780 (E_RNA)
where:
Base-Base interactions energy: -131.042
where: short stacking energy: -64.550
Base-Backbone interact. energy: -0.020
local terms energy: -59.097101
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -6.827
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -18.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -185.795492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.795492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.795492 (E_RNA)
where:
Base-Base interactions energy: -125.610
where: short stacking energy: -58.703
Base-Backbone interact. energy: -0.908
local terms energy: -59.277075
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -13.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -73.200507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.200507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.200507 (E_RNA)
where:
Base-Base interactions energy: -28.677
where: short stacking energy: -28.677
Base-Backbone interact. energy: -0.098
local terms energy: -44.425030
where:
bonds (distance) C4'-P energy: -6.783
bonds (distance) P-C4' energy: -12.330
flat angles C4'-P-C4' energy: -9.044
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -7.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -72.300550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.300550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.300550 (E_RNA)
where:
Base-Base interactions energy: -32.438
where: short stacking energy: -32.438
Base-Backbone interact. energy: 1.470
local terms energy: -41.333125
where:
bonds (distance) C4'-P energy: -8.169
bonds (distance) P-C4' energy: -8.103
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -6.301
tors. eta vs tors. theta energy: -6.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -213.949269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.949269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.949269 (E_RNA)
where:
Base-Base interactions energy: -144.353
where: short stacking energy: -63.041
Base-Backbone interact. energy: -0.615
local terms energy: -68.980639
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -17.292
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: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -206.833647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.833647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.833647 (E_RNA)
where:
Base-Base interactions energy: -141.393
where: short stacking energy: -60.538
Base-Backbone interact. energy: -0.279
local terms energy: -65.162087
where:
bonds (distance) C4'-P energy: -10.920
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -11.970
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -15.528
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: 165
Temperature: 1.000000
Total energy: -197.590872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.590872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.590872 (E_RNA)
where:
Base-Base interactions energy: -140.254
where: short stacking energy: -63.536
Base-Backbone interact. energy: -0.065
local terms energy: -57.272533
where:
bonds (distance) C4'-P energy: -7.933
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -15.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -202.233974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.233974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.233974 (E_RNA)
where:
Base-Base interactions energy: -129.876
where: short stacking energy: -61.161
Base-Backbone interact. energy: -0.001
local terms energy: -72.356770
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -17.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -199.141030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.141030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.141030 (E_RNA)
where:
Base-Base interactions energy: -140.161
where: short stacking energy: -53.912
Base-Backbone interact. energy: -0.303
local terms energy: -58.676429
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -14.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -184.253073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.253073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.253073 (E_RNA)
where:
Base-Base interactions energy: -124.320
where: short stacking energy: -55.307
Base-Backbone interact. energy: -0.027
local terms energy: -59.905712
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -12.229
flat angles C4'-P-C4' energy: -12.058
flat angles P-C4'-P energy: -6.059
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: 10
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -183.669812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.669812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.669812 (E_RNA)
where:
Base-Base interactions energy: -123.156
where: short stacking energy: -55.057
Base-Backbone interact. energy: 0.856
local terms energy: -61.369969
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -12.838
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: 6
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -181.418117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.418117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.418117 (E_RNA)
where:
Base-Base interactions energy: -130.511
where: short stacking energy: -58.398
Base-Backbone interact. energy: -0.004
local terms energy: -50.902997
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -8.449
flat angles P-C4'-P energy: -9.028
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: 9, replica: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -76.091841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.091841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.091841 (E_RNA)
where:
Base-Base interactions energy: -31.809
where: short stacking energy: -31.809
Base-Backbone interact. energy: -0.075
local terms energy: -44.208118
where:
bonds (distance) C4'-P energy: -9.304
bonds (distance) P-C4' energy: -9.203
flat angles C4'-P-C4' energy: -9.658
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -7.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -63.786865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.786865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.786865 (E_RNA)
where:
Base-Base interactions energy: -22.676
where: short stacking energy: -22.676
Base-Backbone interact. energy: -0.170
local terms energy: -40.940588
where:
bonds (distance) C4'-P energy: -10.529
bonds (distance) P-C4' energy: -8.922
flat angles C4'-P-C4' energy: -10.016
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -3.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -212.661591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.661591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.661591 (E_RNA)
where:
Base-Base interactions energy: -145.958
where: short stacking energy: -70.007
Base-Backbone interact. energy: -0.280
local terms energy: -66.423543
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -5.702
tors. eta vs tors. theta energy: -19.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -207.996791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.996791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.996791 (E_RNA)
where:
Base-Base interactions energy: -144.597
where: short stacking energy: -59.712
Base-Backbone interact. energy: -0.057
local terms energy: -63.341940
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -12.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -204.881045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.881045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.881045 (E_RNA)
where:
Base-Base interactions energy: -139.395
where: short stacking energy: -58.879
Base-Backbone interact. energy: -0.588
local terms energy: -64.898450
where:
bonds (distance) C4'-P energy: -9.999
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -16.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -193.948762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.948762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.948762 (E_RNA)
where:
Base-Base interactions energy: -134.275
where: short stacking energy: -55.463
Base-Backbone interact. energy: -0.266
local terms energy: -59.408315
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -9.143
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -14.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -194.447959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.447959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.447959 (E_RNA)
where:
Base-Base interactions energy: -132.254
where: short stacking energy: -57.495
Base-Backbone interact. energy: -0.001
local terms energy: -62.192870
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -11.060
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -14.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -188.279978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.279978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.279978 (E_RNA)
where:
Base-Base interactions energy: -127.804
where: short stacking energy: -56.997
Base-Backbone interact. energy: -0.297
local terms energy: -60.179502
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -13.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -197.548546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.548546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.548546 (E_RNA)
where:
Base-Base interactions energy: -138.354
where: short stacking energy: -57.644
Base-Backbone interact. energy: -0.213
local terms energy: -58.980965
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -9.350
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -15.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -180.189621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.189621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.189621 (E_RNA)
where:
Base-Base interactions energy: -125.152
where: short stacking energy: -49.989
Base-Backbone interact. energy: -0.102
local terms energy: -54.935611
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -10.425
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -5.948
tors. eta vs tors. theta energy: -10.628
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: 7
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -88.454721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.454721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.454721 (E_RNA)
where:
Base-Base interactions energy: -43.074
where: short stacking energy: -23.608
Base-Backbone interact. energy: -0.150
local terms energy: -45.230835
where:
bonds (distance) C4'-P energy: -9.860
bonds (distance) P-C4' energy: -10.681
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -3.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -78.576252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.576252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.576252 (E_RNA)
where:
Base-Base interactions energy: -34.274
where: short stacking energy: -30.246
Base-Backbone interact. energy: -0.011
local terms energy: -44.291707
where:
bonds (distance) C4'-P energy: -8.791
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -9.065
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -4.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -211.760299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.760299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.760299 (E_RNA)
where:
Base-Base interactions energy: -143.603
where: short stacking energy: -64.681
Base-Backbone interact. energy: -0.926
local terms energy: -67.231407
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -16.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -212.830697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.830697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.830697 (E_RNA)
where:
Base-Base interactions energy: -142.282
where: short stacking energy: -67.379
Base-Backbone interact. energy: -0.049
local terms energy: -70.500173
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -20.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -207.486855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.486855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.486855 (E_RNA)
where:
Base-Base interactions energy: -139.861
where: short stacking energy: -56.483
Base-Backbone interact. energy: -0.340
local terms energy: -67.285555
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -13.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -202.080720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.080720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.080720 (E_RNA)
where:
Base-Base interactions energy: -137.770
where: short stacking energy: -58.853
Base-Backbone interact. energy: -0.002
local terms energy: -64.308873
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -17.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -186.446008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.446008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.446008 (E_RNA)
where:
Base-Base interactions energy: -131.369
where: short stacking energy: -49.381
Base-Backbone interact. energy: -0.432
local terms energy: -54.644467
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -5.350
tors. eta vs tors. theta energy: -12.079
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: 6, replica: 10
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -182.937060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.937060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.937060 (E_RNA)
where:
Base-Base interactions energy: -123.426
where: short stacking energy: -55.341
Base-Backbone interact. energy: -0.699
local terms energy: -58.812425
where:
bonds (distance) C4'-P energy: -9.846
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -12.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -187.368625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.368625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.368625 (E_RNA)
where:
Base-Base interactions energy: -123.644
where: short stacking energy: -53.415
Base-Backbone interact. energy: -0.041
local terms energy: -63.684345
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: -16.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -164.682766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.682766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.682766 (E_RNA)
where:
Base-Base interactions energy: -113.927
where: short stacking energy: -42.294
Base-Backbone interact. energy: -0.135
local terms energy: -50.621269
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -4.869
tors. eta vs tors. theta energy: -5.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -71.904309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.904309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.904309 (E_RNA)
where:
Base-Base interactions energy: -24.122
where: short stacking energy: -24.122
Base-Backbone interact. energy: -0.024
local terms energy: -47.757496
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -5.705
tors. eta vs tors. theta energy: -3.509
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: 10, replica: 8
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -92.008749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.008749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.008749 (E_RNA)
where:
Base-Base interactions energy: -39.292
where: short stacking energy: -23.471
Base-Backbone interact. energy: -0.044
local terms energy: -52.671942
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -10.049
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -8.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -210.849722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.849722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.849722 (E_RNA)
where:
Base-Base interactions energy: -141.099
where: short stacking energy: -66.037
Base-Backbone interact. energy: -0.004
local terms energy: -69.746774
where:
bonds (distance) C4'-P energy: -11.330
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -18.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -209.981949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.981949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.981949 (E_RNA)
where:
Base-Base interactions energy: -142.163
where: short stacking energy: -65.212
Base-Backbone interact. energy: -0.589
local terms energy: -67.230069
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -16.662
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: 9
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -209.069392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.069392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.069392 (E_RNA)
where:
Base-Base interactions energy: -143.714
where: short stacking energy: -64.736
Base-Backbone interact. energy: -1.657
local terms energy: -63.698919
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -12.928
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -5.575
tors. eta vs tors. theta energy: -18.984
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: 1
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -201.584852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.584852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.584852 (E_RNA)
where:
Base-Base interactions energy: -140.290
where: short stacking energy: -58.657
Base-Backbone interact. energy: -0.003
local terms energy: -61.291573
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -9.353
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -9.761
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: 168
Temperature: 1.100000
Total energy: -201.986724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.986724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.986724 (E_RNA)
where:
Base-Base interactions energy: -136.493
where: short stacking energy: -61.355
Base-Backbone interact. energy: -0.792
local terms energy: -64.702660
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -8.022
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: 6, replica: 2
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -184.970477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.970477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.970477 (E_RNA)
where:
Base-Base interactions energy: -126.364
where: short stacking energy: -54.171
Base-Backbone interact. energy: -0.014
local terms energy: -58.592721
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -11.809
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: -14.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -184.781139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.781139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.781139 (E_RNA)
where:
Base-Base interactions energy: -120.312
where: short stacking energy: -55.626
Base-Backbone interact. energy: -1.224
local terms energy: -63.245271
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -16.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -183.968566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.968566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.968566 (E_RNA)
where:
Base-Base interactions energy: -129.237
where: short stacking energy: -52.535
Base-Backbone interact. energy: -0.099
local terms energy: -54.633233
where:
bonds (distance) C4'-P energy: -8.799
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -12.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -78.330151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.330151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.330151 (E_RNA)
where:
Base-Base interactions energy: -33.326
where: short stacking energy: -28.531
Base-Backbone interact. energy: -0.165
local terms energy: -44.839737
where:
bonds (distance) C4'-P energy: -10.634
bonds (distance) P-C4' energy: -11.498
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -3.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -82.047650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.047650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.047650 (E_RNA)
where:
Base-Base interactions energy: -49.039
where: short stacking energy: -18.296
Base-Backbone interact. energy: -0.221
local terms energy: -32.787326
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -4.323
flat angles P-C4'-P energy: -3.889
tors. eta vs tors. theta energy: 1.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -205.262302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.262302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.262302 (E_RNA)
where:
Base-Base interactions energy: -139.241
where: short stacking energy: -59.413
Base-Backbone interact. energy: -0.401
local terms energy: -65.620480
where:
bonds (distance) C4'-P energy: -11.632
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -17.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -208.581553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.581553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.581553 (E_RNA)
where:
Base-Base interactions energy: -142.100
where: short stacking energy: -70.261
Base-Backbone interact. energy: -0.886
local terms energy: -65.595838
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -11.521
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -16.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -211.353573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.353573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.353573 (E_RNA)
where:
Base-Base interactions energy: -144.441
where: short stacking energy: -61.128
Base-Backbone interact. energy: -1.190
local terms energy: -65.723093
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -10.596
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -13.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -201.717962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.717962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.717962 (E_RNA)
where:
Base-Base interactions energy: -137.649
where: short stacking energy: -61.082
Base-Backbone interact. energy: -0.211
local terms energy: -63.857863
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -14.149
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: 10
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -197.902074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.902074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.902074 (E_RNA)
where:
Base-Base interactions energy: -133.415
where: short stacking energy: -59.817
Base-Backbone interact. energy: -0.078
local terms energy: -64.409213
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -15.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -186.802244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.802244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.802244 (E_RNA)
where:
Base-Base interactions energy: -126.697
where: short stacking energy: -51.024
Base-Backbone interact. energy: -0.216
local terms energy: -59.889375
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -9.882
flat angles C4'-P-C4' energy: -12.209
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -13.889
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: 2
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -189.287746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.287746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.287746 (E_RNA)
where:
Base-Base interactions energy: -123.732
where: short stacking energy: -62.394
Base-Backbone interact. energy: -0.801
local terms energy: -64.754706
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -17.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -194.627358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.627358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.627358 (E_RNA)
where:
Base-Base interactions energy: -126.152
where: short stacking energy: -57.120
Base-Backbone interact. energy: -0.099
local terms energy: -68.376077
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -19.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -82.299847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.299847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.299847 (E_RNA)
where:
Base-Base interactions energy: -29.995
where: short stacking energy: -25.812
Base-Backbone interact. energy: -0.279
local terms energy: -52.025477
where:
bonds (distance) C4'-P energy: -10.458
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -12.261
flat angles P-C4'-P energy: -5.982
tors. eta vs tors. theta energy: -10.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -65.621787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.621787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.621787 (E_RNA)
where:
Base-Base interactions energy: -28.682
where: short stacking energy: -21.206
Base-Backbone interact. energy: -0.879
local terms energy: -36.061143
where:
bonds (distance) C4'-P energy: -8.971
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -4.903
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: 0.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -213.653328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.653328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.653328 (E_RNA)
where:
Base-Base interactions energy: -148.135
where: short stacking energy: -63.904
Base-Backbone interact. energy: -0.024
local terms energy: -65.494163
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -15.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -207.626137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.626137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.626137 (E_RNA)
where:
Base-Base interactions energy: -137.323
where: short stacking energy: -67.462
Base-Backbone interact. energy: -0.631
local terms energy: -69.672121
where:
bonds (distance) C4'-P energy: -9.426
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -20.781
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: 3, replica: 1
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -201.260774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.260774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.260774 (E_RNA)
where:
Base-Base interactions energy: -136.589
where: short stacking energy: -60.846
Base-Backbone interact. energy: -0.219
local terms energy: -64.452885
where:
bonds (distance) C4'-P energy: -7.343
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -17.280
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -17.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -186.931887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.931887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.931887 (E_RNA)
where:
Base-Base interactions energy: -133.967
where: short stacking energy: -54.055
Base-Backbone interact. energy: -0.080
local terms energy: -52.884898
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -11.178
flat angles C4'-P-C4' energy: -10.687
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -11.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -195.567093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.567093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.567093 (E_RNA)
where:
Base-Base interactions energy: -134.153
where: short stacking energy: -60.844
Base-Backbone interact. energy: -0.180
local terms energy: -61.233460
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -14.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -193.519365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.519365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.519365 (E_RNA)
where:
Base-Base interactions energy: -130.217
where: short stacking energy: -52.335
Base-Backbone interact. energy: -0.022
local terms energy: -63.280132
where:
bonds (distance) C4'-P energy: -10.410
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -17.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -182.532466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.532466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.532466 (E_RNA)
where:
Base-Base interactions energy: -133.333
where: short stacking energy: -50.016
Base-Backbone interact. energy: -0.247
local terms energy: -48.952696
where:
bonds (distance) C4'-P energy: -6.766
bonds (distance) P-C4' energy: -7.924
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -10.755
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: 2
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -177.684921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.684921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.684921 (E_RNA)
where:
Base-Base interactions energy: -112.378
where: short stacking energy: -53.849
Base-Backbone interact. energy: -0.013
local terms energy: -65.293786
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -14.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -69.779482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.779482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.779482 (E_RNA)
where:
Base-Base interactions energy: -24.586
where: short stacking energy: -20.430
Base-Backbone interact. energy: -0.008
local terms energy: -45.185482
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -3.070
tors. eta vs tors. theta energy: -3.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -80.874585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.874585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.874585 (E_RNA)
where:
Base-Base interactions energy: -31.646
where: short stacking energy: -31.646
Base-Backbone interact. energy: -0.019
local terms energy: -49.209672
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -8.159
flat angles P-C4'-P energy: -4.675
tors. eta vs tors. theta energy: -9.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -211.516322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.516322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.516322 (E_RNA)
where:
Base-Base interactions energy: -143.892
where: short stacking energy: -63.980
Base-Backbone interact. energy: -1.804
local terms energy: -65.820116
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -17.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -211.232248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.232248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.232248 (E_RNA)
where:
Base-Base interactions energy: -140.630
where: short stacking energy: -65.882
Base-Backbone interact. energy: -1.305
local terms energy: -69.297832
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -8.912
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -19.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -209.477861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.477861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.477861 (E_RNA)
where:
Base-Base interactions energy: -146.671
where: short stacking energy: -51.075
Base-Backbone interact. energy: -0.031
local terms energy: -62.776276
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -12.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -204.280295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.280295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.280295 (E_RNA)
where:
Base-Base interactions energy: -136.197
where: short stacking energy: -54.026
Base-Backbone interact. energy: 0.299
local terms energy: -68.382060
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -15.229
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: 4
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -197.625209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.625209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.625209 (E_RNA)
where:
Base-Base interactions energy: -131.610
where: short stacking energy: -63.175
Base-Backbone interact. energy: -0.000
local terms energy: -66.014350
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -15.403
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: 10
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -191.297781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.297781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.297781 (E_RNA)
where:
Base-Base interactions energy: -134.117
where: short stacking energy: -61.719
Base-Backbone interact. energy: -0.021
local terms energy: -57.159692
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -10.162
flat angles C4'-P-C4' energy: -10.247
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -16.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -185.192430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.192430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.192430 (E_RNA)
where:
Base-Base interactions energy: -126.749
where: short stacking energy: -59.049
Base-Backbone interact. energy: -0.001
local terms energy: -58.442058
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -10.905
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -15.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -185.520328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.520328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.520328 (E_RNA)
where:
Base-Base interactions energy: -126.868
where: short stacking energy: -51.302
Base-Backbone interact. energy: 0.214
local terms energy: -58.865867
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -12.026
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -13.275
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: 7
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -69.106197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.106197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.106197 (E_RNA)
where:
Base-Base interactions energy: -21.983
where: short stacking energy: -16.855
Base-Backbone interact. energy: -0.005
local terms energy: -47.117433
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -7.017
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -3.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -65.921998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.921998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.921998 (E_RNA)
where:
Base-Base interactions energy: -29.610
where: short stacking energy: -8.096
Base-Backbone interact. energy: -0.632
local terms energy: -35.680257
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -4.969
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: 3.908
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: 5
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -211.996427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.996427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.996427 (E_RNA)
where:
Base-Base interactions energy: -144.006
where: short stacking energy: -66.080
Base-Backbone interact. energy: -1.882
local terms energy: -66.108631
where:
bonds (distance) C4'-P energy: -10.379
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -19.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -204.388847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.388847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.388847 (E_RNA)
where:
Base-Base interactions energy: -149.239
where: short stacking energy: -57.647
Base-Backbone interact. energy: -0.064
local terms energy: -55.085881
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -8.042
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -12.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -206.800481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.800481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.800481 (E_RNA)
where:
Base-Base interactions energy: -141.147
where: short stacking energy: -67.821
Base-Backbone interact. energy: -0.066
local terms energy: -65.588160
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -9.518
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -17.454
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: 6
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -199.662112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.662112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.662112 (E_RNA)
where:
Base-Base interactions energy: -135.319
where: short stacking energy: -62.389
Base-Backbone interact. energy: -0.007
local terms energy: -64.336577
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -17.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -200.002731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.002731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.002731 (E_RNA)
where:
Base-Base interactions energy: -135.474
where: short stacking energy: -63.071
Base-Backbone interact. energy: -0.022
local terms energy: -64.507320
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -5.986
tors. eta vs tors. theta energy: -15.689
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: 172
Temperature: 1.150000
Total energy: -196.613688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.613688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.613688 (E_RNA)
where:
Base-Base interactions energy: -133.369
where: short stacking energy: -62.874
Base-Backbone interact. energy: -0.001
local terms energy: -63.243341
where:
bonds (distance) C4'-P energy: -10.008
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -4.971
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: 7, replica: 3
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -201.272219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.272219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.272219 (E_RNA)
where:
Base-Base interactions energy: -135.436
where: short stacking energy: -59.183
Base-Backbone interact. energy: -0.426
local terms energy: -65.410631
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -15.403
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: 8, replica: 2
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -199.272088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.272088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.272088 (E_RNA)
where:
Base-Base interactions energy: -130.290
where: short stacking energy: -57.961
Base-Backbone interact. energy: -0.001
local terms energy: -68.981391
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -16.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -75.221304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.221304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.221304 (E_RNA)
where:
Base-Base interactions energy: -26.688
where: short stacking energy: -26.688
Base-Backbone interact. energy: -0.033
local terms energy: -48.500162
where:
bonds (distance) C4'-P energy: -9.375
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -9.441
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -8.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -74.335416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.335416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.335416 (E_RNA)
where:
Base-Base interactions energy: -32.111
where: short stacking energy: -15.753
Base-Backbone interact. energy: -0.441
local terms energy: -41.783280
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -10.298
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: 0.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -211.468388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.468388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.468388 (E_RNA)
where:
Base-Base interactions energy: -142.643
where: short stacking energy: -69.375
Base-Backbone interact. energy: -0.076
local terms energy: -68.749392
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -17.788
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: 2, replica: 1
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -211.854200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.854200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.854200 (E_RNA)
where:
Base-Base interactions energy: -144.282
where: short stacking energy: -68.069
Base-Backbone interact. energy: -0.328
local terms energy: -67.243920
where:
bonds (distance) C4'-P energy: -10.148
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -7.877
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: 3, replica: 9
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -201.436392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.436392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.436392 (E_RNA)
where:
Base-Base interactions energy: -133.696
where: short stacking energy: -55.833
Base-Backbone interact. energy: -0.089
local terms energy: -67.651310
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -15.524
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: 4
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -197.497613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.497613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.497613 (E_RNA)
where:
Base-Base interactions energy: -131.241
where: short stacking energy: -55.171
Base-Backbone interact. energy: -0.005
local terms energy: -66.251947
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -10.549
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -19.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -201.259199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.259199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.259199 (E_RNA)
where:
Base-Base interactions energy: -136.735
where: short stacking energy: -64.821
Base-Backbone interact. energy: -0.039
local terms energy: -64.485271
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -11.433
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -16.007
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: 10
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -194.439838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.439838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.439838 (E_RNA)
where:
Base-Base interactions energy: -129.642
where: short stacking energy: -59.544
Base-Backbone interact. energy: -0.002
local terms energy: -64.795865
where:
bonds (distance) C4'-P energy: -8.407
bonds (distance) P-C4' energy: -12.239
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -16.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -186.265369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.265369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.265369 (E_RNA)
where:
Base-Base interactions energy: -128.123
where: short stacking energy: -58.626
Base-Backbone interact. energy: -0.887
local terms energy: -57.255890
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -8.211
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -14.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -189.426882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.426882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.426882 (E_RNA)
where:
Base-Base interactions energy: -128.217
where: short stacking energy: -49.511
Base-Backbone interact. energy: -0.001
local terms energy: -61.208898
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -9.407
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -10.190
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: 9, replica: 7
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -84.026940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.026940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.026940 (E_RNA)
where:
Base-Base interactions energy: -29.113
where: short stacking energy: -29.113
Base-Backbone interact. energy: -0.010
local terms energy: -54.904387
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -7.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -64.977444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.977444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.977444 (E_RNA)
where:
Base-Base interactions energy: -23.811
where: short stacking energy: -17.523
Base-Backbone interact. energy: -0.663
local terms energy: -40.503206
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -10.693
flat angles C4'-P-C4' energy: -10.139
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: 0.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -212.284152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.284152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.284152 (E_RNA)
where:
Base-Base interactions energy: -145.748
where: short stacking energy: -66.474
Base-Backbone interact. energy: -0.001
local terms energy: -66.534862
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -14.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -214.908229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.908229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.908229 (E_RNA)
where:
Base-Base interactions energy: -146.489
where: short stacking energy: -70.195
Base-Backbone interact. energy: -0.690
local terms energy: -67.729337
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -19.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -201.120639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.120639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.120639 (E_RNA)
where:
Base-Base interactions energy: -133.423
where: short stacking energy: -63.199
Base-Backbone interact. energy: -0.027
local terms energy: -67.670262
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -10.744
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -19.016
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: 4, replica: 4
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -209.127698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.127698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.127698 (E_RNA)
where:
Base-Base interactions energy: -140.337
where: short stacking energy: -61.765
Base-Backbone interact. energy: -1.557
local terms energy: -67.234343
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -13.122
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -17.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -200.685916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.685916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.685916 (E_RNA)
where:
Base-Base interactions energy: -131.578
where: short stacking energy: -62.723
Base-Backbone interact. energy: -0.565
local terms energy: -68.542433
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -17.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -176.732653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.732653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.732653 (E_RNA)
where:
Base-Base interactions energy: -120.903
where: short stacking energy: -49.248
Base-Backbone interact. energy: -1.052
local terms energy: -54.777651
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -11.755
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -8.144
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: 7, replica: 3
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -193.589930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.589930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.589930 (E_RNA)
where:
Base-Base interactions energy: -136.368
where: short stacking energy: -57.653
Base-Backbone interact. energy: -0.024
local terms energy: -57.197928
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -2.361
tors. eta vs tors. theta energy: -14.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -170.416688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.416688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.416688 (E_RNA)
where:
Base-Base interactions energy: -115.235
where: short stacking energy: -46.093
Base-Backbone interact. energy: -0.202
local terms energy: -54.979918
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -8.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -68.853490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.853490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.853490 (E_RNA)
where:
Base-Base interactions energy: -29.498
where: short stacking energy: -15.749
Base-Backbone interact. energy: -0.119
local terms energy: -39.236299
where:
bonds (distance) C4'-P energy: -6.646
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -9.174
flat angles P-C4'-P energy: -11.098
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: 7
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -73.421180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.421180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.421180 (E_RNA)
where:
Base-Base interactions energy: -25.414
where: short stacking energy: -22.822
Base-Backbone interact. energy: -0.029
local terms energy: -47.978649
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -11.166
flat angles C4'-P-C4' energy: -9.820
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -2.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -210.667662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.667662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.667662 (E_RNA)
where:
Base-Base interactions energy: -141.426
where: short stacking energy: -65.659
Base-Backbone interact. energy: -0.894
local terms energy: -68.347841
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -12.713
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -16.569
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: 2, replica: 9
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -210.546251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.546251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.546251 (E_RNA)
where:
Base-Base interactions energy: -143.413
where: short stacking energy: -58.757
Base-Backbone interact. energy: -0.000
local terms energy: -67.133347
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -18.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -208.679332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.679332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.679332 (E_RNA)
where:
Base-Base interactions energy: -143.152
where: short stacking energy: -65.084
Base-Backbone interact. energy: -0.197
local terms energy: -65.330107
where:
bonds (distance) C4'-P energy: -14.246
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -11.548
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -15.997
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: 175
Temperature: 1.050000
Total energy: -202.817570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.817570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.817570 (E_RNA)
where:
Base-Base interactions energy: -136.605
where: short stacking energy: -60.459
Base-Backbone interact. energy: -0.000
local terms energy: -66.212062
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -11.634
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -17.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -191.131310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.131310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.131310 (E_RNA)
where:
Base-Base interactions energy: -130.045
where: short stacking energy: -58.721
Base-Backbone interact. energy: -0.000
local terms energy: -61.086490
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -10.857
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -17.068
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: 6, replica: 6
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -186.409527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.409527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.409527 (E_RNA)
where:
Base-Base interactions energy: -124.108
where: short stacking energy: -54.022
Base-Backbone interact. energy: 0.047
local terms energy: -62.348392
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -12.144
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: 7, replica: 3
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -178.324267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.324267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.324267 (E_RNA)
where:
Base-Base interactions energy: -123.839
where: short stacking energy: -52.587
Base-Backbone interact. energy: -0.170
local terms energy: -54.314880
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -10.360
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: 2
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -180.636594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.636594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.636594 (E_RNA)
where:
Base-Base interactions energy: -124.399
where: short stacking energy: -56.512
Base-Backbone interact. energy: -0.844
local terms energy: -55.393041
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -6.700
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -15.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -77.960224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.960224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.960224 (E_RNA)
where:
Base-Base interactions energy: -32.308
where: short stacking energy: -32.308
Base-Backbone interact. energy: -0.052
local terms energy: -45.600108
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -10.988
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -1.439
tors. eta vs tors. theta energy: -6.590
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: 10, replica: 7
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -84.523137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.523137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.523137 (E_RNA)
where:
Base-Base interactions energy: -38.579
where: short stacking energy: -38.579
Base-Backbone interact. energy: -0.001
local terms energy: -45.943308
where:
bonds (distance) C4'-P energy: -8.211
bonds (distance) P-C4' energy: -11.076
flat angles C4'-P-C4' energy: -4.518
flat angles P-C4'-P energy: -10.303
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: 1, replica: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -209.196542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.196542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.196542 (E_RNA)
where:
Base-Base interactions energy: -142.324
where: short stacking energy: -60.705
Base-Backbone interact. energy: -0.928
local terms energy: -65.944510
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -15.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -206.173413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.173413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.173413 (E_RNA)
where:
Base-Base interactions energy: -138.074
where: short stacking energy: -62.144
Base-Backbone interact. energy: -0.086
local terms energy: -68.013659
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -16.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -206.655589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.655589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.655589 (E_RNA)
where:
Base-Base interactions energy: -135.517
where: short stacking energy: -59.774
Base-Backbone interact. energy: -0.743
local terms energy: -70.395312
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -10.249
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: 4, replica: 5
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -200.956639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.956639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.956639 (E_RNA)
where:
Base-Base interactions energy: -135.178
where: short stacking energy: -58.703
Base-Backbone interact. energy: -0.671
local terms energy: -65.107068
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -10.041
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -18.428
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: 5, replica: 10
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -194.243350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.243350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.243350 (E_RNA)
where:
Base-Base interactions energy: -130.156
where: short stacking energy: -54.850
Base-Backbone interact. energy: -0.003
local terms energy: -64.084480
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -9.802
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -14.675
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: 176
Temperature: 1.150000
Total energy: -194.282376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.282376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.282376 (E_RNA)
where:
Base-Base interactions energy: -139.834
where: short stacking energy: -63.609
Base-Backbone interact. energy: -0.244
local terms energy: -54.203787
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -8.495
flat angles C4'-P-C4' energy: -10.030
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -14.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -187.527876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.527876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.527876 (E_RNA)
where:
Base-Base interactions energy: -131.210
where: short stacking energy: -56.209
Base-Backbone interact. energy: -0.343
local terms energy: -55.975429
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -9.972
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -12.611
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: 3
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -185.793389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.793389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.793389 (E_RNA)
where:
Base-Base interactions energy: -127.922
where: short stacking energy: -52.784
Base-Backbone interact. energy: -0.224
local terms energy: -57.646952
where:
bonds (distance) C4'-P energy: -5.273
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -10.486
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -17.612
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: 7
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -70.467025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.467025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.467025 (E_RNA)
where:
Base-Base interactions energy: -28.645
where: short stacking energy: -27.776
Base-Backbone interact. energy: 0.454
local terms energy: -42.275488
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -5.610
tors. eta vs tors. theta energy: -1.009
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: 8
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -66.135502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.135502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.135502 (E_RNA)
where:
Base-Base interactions energy: -23.591
where: short stacking energy: -23.591
Base-Backbone interact. energy: -0.261
local terms energy: -42.282930
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -9.265
flat angles P-C4'-P energy: -12.031
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: 1, replica: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -206.215947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.215947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.215947 (E_RNA)
where:
Base-Base interactions energy: -140.668
where: short stacking energy: -60.551
Base-Backbone interact. energy: -0.097
local terms energy: -65.451249
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -17.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -214.539151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.539151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.539151 (E_RNA)
where:
Base-Base interactions energy: -148.456
where: short stacking energy: -72.638
Base-Backbone interact. energy: -0.004
local terms energy: -66.079331
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -19.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -201.932765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.932765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.932765 (E_RNA)
where:
Base-Base interactions energy: -135.814
where: short stacking energy: -59.137
Base-Backbone interact. energy: -0.084
local terms energy: -66.034586
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -18.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -198.360331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.360331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.360331 (E_RNA)
where:
Base-Base interactions energy: -129.524
where: short stacking energy: -55.662
Base-Backbone interact. energy: -0.002
local terms energy: -68.833905
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -9.477
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: 5
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -194.972765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.972765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.972765 (E_RNA)
where:
Base-Base interactions energy: -133.316
where: short stacking energy: -58.878
Base-Backbone interact. energy: -0.048
local terms energy: -61.608293
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -8.606
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -18.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -194.974745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.974745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.974745 (E_RNA)
where:
Base-Base interactions energy: -131.736
where: short stacking energy: -54.596
Base-Backbone interact. energy: -0.324
local terms energy: -62.914639
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -10.058
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -18.570
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: 7, replica: 2
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -195.005217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.005217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.005217 (E_RNA)
where:
Base-Base interactions energy: -127.135
where: short stacking energy: -54.342
Base-Backbone interact. energy: -0.813
local terms energy: -67.056798
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -16.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -178.844580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.844580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.844580 (E_RNA)
where:
Base-Base interactions energy: -120.846
where: short stacking energy: -50.628
Base-Backbone interact. energy: -0.106
local terms energy: -57.892493
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -7.756
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -12.649
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: 7
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -78.409479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.409479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.409479 (E_RNA)
where:
Base-Base interactions energy: -33.894
where: short stacking energy: -22.511
Base-Backbone interact. energy: -0.185
local terms energy: -44.330244
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -6.318
flat angles P-C4'-P energy: -10.785
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: 8
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -77.958402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.958402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.958402 (E_RNA)
where:
Base-Base interactions energy: -31.888
where: short stacking energy: -17.469
Base-Backbone interact. energy: -0.154
local terms energy: -45.916333
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -6.124
tors. eta vs tors. theta energy: 1.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -211.388283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.388283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.388283 (E_RNA)
where:
Base-Base interactions energy: -144.742
where: short stacking energy: -56.265
Base-Backbone interact. energy: -0.103
local terms energy: -66.543034
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -14.347
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: 1
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -207.355301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.355301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.355301 (E_RNA)
where:
Base-Base interactions energy: -139.475
where: short stacking energy: -57.565
Base-Backbone interact. energy: -0.281
local terms energy: -67.599400
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -15.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -202.112640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.112640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.112640 (E_RNA)
where:
Base-Base interactions energy: -136.238
where: short stacking energy: -61.986
Base-Backbone interact. energy: -0.058
local terms energy: -65.816474
where:
bonds (distance) C4'-P energy: -9.846
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -9.684
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: 4, replica: 9
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -209.737910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.737910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.737910 (E_RNA)
where:
Base-Base interactions energy: -143.141
where: short stacking energy: -68.394
Base-Backbone interact. energy: -2.468
local terms energy: -64.129244
where:
bonds (distance) C4'-P energy: -8.517
bonds (distance) P-C4' energy: -11.913
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -20.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -204.662273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.662273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.662273 (E_RNA)
where:
Base-Base interactions energy: -135.349
where: short stacking energy: -66.723
Base-Backbone interact. energy: -0.085
local terms energy: -69.228544
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -18.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -192.173967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.173967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.173967 (E_RNA)
where:
Base-Base interactions energy: -132.759
where: short stacking energy: -59.977
Base-Backbone interact. energy: 0.704
local terms energy: -60.119203
where:
bonds (distance) C4'-P energy: -8.886
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -10.919
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -16.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -193.648193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.648193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.648193 (E_RNA)
where:
Base-Base interactions energy: -128.118
where: short stacking energy: -60.888
Base-Backbone interact. energy: -0.061
local terms energy: -65.469341
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -11.830
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -8.214
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: 8, replica: 2
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -189.071187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.071187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.071187 (E_RNA)
where:
Base-Base interactions energy: -131.950
where: short stacking energy: -57.293
Base-Backbone interact. energy: -0.073
local terms energy: -57.047658
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -9.845
flat angles C4'-P-C4' energy: -10.691
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -14.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -76.309561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.309561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.309561 (E_RNA)
where:
Base-Base interactions energy: -47.061
where: short stacking energy: -32.128
Base-Backbone interact. energy: 4.112
local terms energy: -33.361029
where:
bonds (distance) C4'-P energy: -8.952
bonds (distance) P-C4' energy: -7.814
flat angles C4'-P-C4' energy: -10.292
flat angles P-C4'-P energy: -4.973
tors. eta vs tors. theta energy: -1.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -72.285938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.285938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.285938 (E_RNA)
where:
Base-Base interactions energy: -25.790
where: short stacking energy: -17.630
Base-Backbone interact. energy: -0.051
local terms energy: -46.444808
where:
bonds (distance) C4'-P energy: -8.725
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -5.789
tors. eta vs tors. theta energy: -6.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -215.305824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.305824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.305824 (E_RNA)
where:
Base-Base interactions energy: -149.241
where: short stacking energy: -67.722
Base-Backbone interact. energy: -0.010
local terms energy: -66.055232
where:
bonds (distance) C4'-P energy: -11.464
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -16.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -210.901711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.901711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.901711 (E_RNA)
where:
Base-Base interactions energy: -145.989
where: short stacking energy: -69.095
Base-Backbone interact. energy: -0.596
local terms energy: -64.315886
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -11.239
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -17.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -197.882625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.882625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.882625 (E_RNA)
where:
Base-Base interactions energy: -139.343
where: short stacking energy: -62.241
Base-Backbone interact. energy: -0.009
local terms energy: -58.530410
where:
bonds (distance) C4'-P energy: -10.513
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -12.189
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: 5
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -207.500424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.500424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.500424 (E_RNA)
where:
Base-Base interactions energy: -137.847
where: short stacking energy: -61.561
Base-Backbone interact. energy: -0.003
local terms energy: -69.650531
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -17.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -195.979436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.979436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.979436 (E_RNA)
where:
Base-Base interactions energy: -137.223
where: short stacking energy: -56.271
Base-Backbone interact. energy: -0.063
local terms energy: -58.693230
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -7.131
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -5.523
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: 6, replica: 3
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -197.956522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.956522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.956522 (E_RNA)
where:
Base-Base interactions energy: -131.338
where: short stacking energy: -63.609
Base-Backbone interact. energy: -0.001
local terms energy: -66.617274
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -15.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -190.568223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.568223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.568223 (E_RNA)
where:
Base-Base interactions energy: -125.984
where: short stacking energy: -59.721
Base-Backbone interact. energy: -0.265
local terms energy: -64.318906
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -14.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -171.733294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.733294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.733294 (E_RNA)
where:
Base-Base interactions energy: -118.644
where: short stacking energy: -47.793
Base-Backbone interact. energy: -0.090
local terms energy: -52.999341
where:
bonds (distance) C4'-P energy: -9.621
bonds (distance) P-C4' energy: -12.368
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -10.968
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: 179
Temperature: 1.300000
Total energy: -71.379947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.379947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.379947 (E_RNA)
where:
Base-Base interactions energy: -30.733
where: short stacking energy: -21.818
Base-Backbone interact. energy: -0.119
local terms energy: -40.527734
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -11.310
flat angles C4'-P-C4' energy: -9.991
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -0.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -70.911915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.911915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.911915 (E_RNA)
where:
Base-Base interactions energy: -30.130
where: short stacking energy: -26.154
Base-Backbone interact. energy: -0.080
local terms energy: -40.701878
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -11.122
flat angles C4'-P-C4' energy: -10.433
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: 0.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -208.108403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.108403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.108403 (E_RNA)
where:
Base-Base interactions energy: -141.008
where: short stacking energy: -51.705
Base-Backbone interact. energy: 0.002
local terms energy: -67.102229
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -12.015
tors. eta vs tors. theta energy: -15.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -205.724925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.724925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.724925 (E_RNA)
where:
Base-Base interactions energy: -142.375
where: short stacking energy: -61.438
Base-Backbone interact. energy: -0.193
local terms energy: -63.157612
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -15.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -203.604284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.604284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.604284 (E_RNA)
where:
Base-Base interactions energy: -141.170
where: short stacking energy: -57.479
Base-Backbone interact. energy: -0.042
local terms energy: -62.392474
where:
bonds (distance) C4'-P energy: -12.415
bonds (distance) P-C4' energy: -8.798
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -15.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -199.816593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.816593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.816593 (E_RNA)
where:
Base-Base interactions energy: -139.691
where: short stacking energy: -57.639
Base-Backbone interact. energy: -0.100
local terms energy: -60.025468
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -10.900
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -9.656
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: 5, replica: 3
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -201.320636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.320636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.320636 (E_RNA)
where:
Base-Base interactions energy: -135.716
where: short stacking energy: -59.712
Base-Backbone interact. energy: -0.597
local terms energy: -65.007365
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -17.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -193.969663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.969663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.969663 (E_RNA)
where:
Base-Base interactions energy: -133.460
where: short stacking energy: -58.776
Base-Backbone interact. energy: -0.003
local terms energy: -60.506178
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -12.216
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -6.594
tors. eta vs tors. theta energy: -15.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -180.554213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.554213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.554213 (E_RNA)
where:
Base-Base interactions energy: -120.390
where: short stacking energy: -47.907
Base-Backbone interact. energy: -0.159
local terms energy: -60.005536
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -6.355
tors. eta vs tors. theta energy: -14.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -170.359476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.359476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.359476 (E_RNA)
where:
Base-Base interactions energy: -114.665
where: short stacking energy: -45.952
Base-Backbone interact. energy: -0.036
local terms energy: -55.658202
where:
bonds (distance) C4'-P energy: -10.368
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -10.046
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: 7
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -70.905560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.905560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.905560 (E_RNA)
where:
Base-Base interactions energy: -27.865
where: short stacking energy: -19.297
Base-Backbone interact. energy: -0.283
local terms energy: -42.757553
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -9.592
flat angles P-C4'-P energy: -8.864
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: 10, replica: 8
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -85.795904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.795904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.795904 (E_RNA)
where:
Base-Base interactions energy: -39.719
where: short stacking energy: -28.628
Base-Backbone interact. energy: -0.101
local terms energy: -45.976320
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -9.743
flat angles C4'-P-C4' energy: -8.020
flat angles P-C4'-P energy: -9.480
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: 1, replica: 1
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -212.717695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.717695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.717695 (E_RNA)
where:
Base-Base interactions energy: -145.214
where: short stacking energy: -66.919
Base-Backbone interact. energy: -0.001
local terms energy: -67.502074
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -17.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -206.137129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.137129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.137129 (E_RNA)
where:
Base-Base interactions energy: -139.565
where: short stacking energy: -62.381
Base-Backbone interact. energy: -0.576
local terms energy: -65.996618
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -17.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -206.799062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.799062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.799062 (E_RNA)
where:
Base-Base interactions energy: -141.822
where: short stacking energy: -64.971
Base-Backbone interact. energy: -0.009
local terms energy: -64.968851
where:
bonds (distance) C4'-P energy: -9.304
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -16.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -197.561294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.561294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.561294 (E_RNA)
where:
Base-Base interactions energy: -136.278
where: short stacking energy: -59.073
Base-Backbone interact. energy: -0.001
local terms energy: -61.283121
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -11.211
flat angles C4'-P-C4' energy: -10.265
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -17.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -197.250039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.250039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.250039 (E_RNA)
where:
Base-Base interactions energy: -135.247
where: short stacking energy: -52.941
Base-Backbone interact. energy: -0.404
local terms energy: -61.598622
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -12.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -197.145943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.145943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.145943 (E_RNA)
where:
Base-Base interactions energy: -138.615
where: short stacking energy: -60.843
Base-Backbone interact. energy: -0.635
local terms energy: -57.896187
where:
bonds (distance) C4'-P energy: -8.709
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -15.658
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: 7, replica: 9
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -191.270612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.270612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.270612 (E_RNA)
where:
Base-Base interactions energy: -129.582
where: short stacking energy: -57.853
Base-Backbone interact. energy: -0.006
local terms energy: -61.682332
where:
bonds (distance) C4'-P energy: -5.723
bonds (distance) P-C4' energy: -13.127
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -18.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -181.701096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.701096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.701096 (E_RNA)
where:
Base-Base interactions energy: -122.027
where: short stacking energy: -51.105
Base-Backbone interact. energy: -0.423
local terms energy: -59.251522
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -8.988
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -11.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -72.890935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.890935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.890935 (E_RNA)
where:
Base-Base interactions energy: -28.439
where: short stacking energy: -27.956
Base-Backbone interact. energy: -0.173
local terms energy: -44.279275
where:
bonds (distance) C4'-P energy: -10.154
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -6.745
flat angles P-C4'-P energy: -6.141
tors. eta vs tors. theta energy: -5.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -67.101704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.101704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.101704 (E_RNA)
where:
Base-Base interactions energy: -34.032
where: short stacking energy: -23.490
Base-Backbone interact. energy: -0.181
local terms energy: -32.887936
where:
bonds (distance) C4'-P energy: -8.187
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -10.328
flat angles P-C4'-P energy: -5.140
tors. eta vs tors. theta energy: 4.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -207.208303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.208303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.208303 (E_RNA)
where:
Base-Base interactions energy: -139.051
where: short stacking energy: -68.079
Base-Backbone interact. energy: -0.005
local terms energy: -68.152454
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -17.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -210.680477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.680477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.680477 (E_RNA)
where:
Base-Base interactions energy: -142.000
where: short stacking energy: -56.984
Base-Backbone interact. energy: -0.122
local terms energy: -68.558341
where:
bonds (distance) C4'-P energy: -9.255
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -16.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -208.041899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.041899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.041899 (E_RNA)
where:
Base-Base interactions energy: -138.415
where: short stacking energy: -61.270
Base-Backbone interact. energy: -0.001
local terms energy: -69.625922
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -17.810
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: 4, replica: 3
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -201.701433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.701433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.701433 (E_RNA)
where:
Base-Base interactions energy: -140.364
where: short stacking energy: -58.176
Base-Backbone interact. energy: -0.131
local terms energy: -61.206322
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -11.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -199.411656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.411656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.411656 (E_RNA)
where:
Base-Base interactions energy: -137.317
where: short stacking energy: -64.665
Base-Backbone interact. energy: -0.995
local terms energy: -61.100042
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -12.243
flat angles P-C4'-P energy: -6.245
tors. eta vs tors. theta energy: -17.982
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: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -202.294711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.294711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.294711 (E_RNA)
where:
Base-Base interactions energy: -132.960
where: short stacking energy: -62.057
Base-Backbone interact. energy: -0.024
local terms energy: -69.311023
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -15.739
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: 182
Temperature: 1.200000
Total energy: -198.837939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.837939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.837939 (E_RNA)
where:
Base-Base interactions energy: -132.548
where: short stacking energy: -65.350
Base-Backbone interact. energy: -0.006
local terms energy: -66.284586
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -10.789
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: 8, replica: 2
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -189.059038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.059038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.059038 (E_RNA)
where:
Base-Base interactions energy: -137.283
where: short stacking energy: -56.287
Base-Backbone interact. energy: -0.260
local terms energy: -51.516413
where:
bonds (distance) C4'-P energy: -11.330
bonds (distance) P-C4' energy: -6.890
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -12.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -71.265753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.265753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.265753 (E_RNA)
where:
Base-Base interactions energy: -30.815
where: short stacking energy: -24.199
Base-Backbone interact. energy: -0.244
local terms energy: -40.206409
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -10.346
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -6.348
tors. eta vs tors. theta energy: 0.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -60.009642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.009642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.009642 (E_RNA)
where:
Base-Base interactions energy: -10.502
where: short stacking energy: -10.245
Base-Backbone interact. energy: -0.031
local terms energy: -49.476107
where:
bonds (distance) C4'-P energy: -7.789
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -3.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -212.237143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.237143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.237143 (E_RNA)
where:
Base-Base interactions energy: -145.149
where: short stacking energy: -67.283
Base-Backbone interact. energy: -0.009
local terms energy: -67.078621
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -17.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -206.023371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.023371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.023371 (E_RNA)
where:
Base-Base interactions energy: -142.610
where: short stacking energy: -66.785
Base-Backbone interact. energy: -1.102
local terms energy: -62.312137
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -6.351
tors. eta vs tors. theta energy: -17.287
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: 5
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -214.153337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.153337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.153337 (E_RNA)
where:
Base-Base interactions energy: -140.891
where: short stacking energy: -62.653
Base-Backbone interact. energy: -0.876
local terms energy: -72.385959
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -19.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -204.800962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.800962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.800962 (E_RNA)
where:
Base-Base interactions energy: -148.123
where: short stacking energy: -62.263
Base-Backbone interact. energy: -0.014
local terms energy: -56.663685
where:
bonds (distance) C4'-P energy: -8.273
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -13.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -196.755725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.755725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.755725 (E_RNA)
where:
Base-Base interactions energy: -135.492
where: short stacking energy: -52.135
Base-Backbone interact. energy: 0.647
local terms energy: -61.911264
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -10.586
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -7.081
tors. eta vs tors. theta energy: -16.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -197.024099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.024099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.024099 (E_RNA)
where:
Base-Base interactions energy: -135.241
where: short stacking energy: -59.345
Base-Backbone interact. energy: -0.310
local terms energy: -61.472874
where:
bonds (distance) C4'-P energy: -5.397
bonds (distance) P-C4' energy: -14.178
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -16.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -190.614328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.614328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.614328 (E_RNA)
where:
Base-Base interactions energy: -125.673
where: short stacking energy: -61.067
Base-Backbone interact. energy: -1.256
local terms energy: -63.685325
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -10.982
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -16.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -177.526028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.526028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.526028 (E_RNA)
where:
Base-Base interactions energy: -125.015
where: short stacking energy: -55.123
Base-Backbone interact. energy: -0.001
local terms energy: -52.509713
where:
bonds (distance) C4'-P energy: -10.074
bonds (distance) P-C4' energy: -7.585
flat angles C4'-P-C4' energy: -10.352
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -15.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -74.919909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.919909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.919909 (E_RNA)
where:
Base-Base interactions energy: -26.548
where: short stacking energy: -26.548
Base-Backbone interact. energy: 1.824
local terms energy: -50.195782
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -9.309
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -3.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -72.624959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.624959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.624959 (E_RNA)
where:
Base-Base interactions energy: -32.700
where: short stacking energy: -26.060
Base-Backbone interact. energy: -0.491
local terms energy: -39.433396
where:
bonds (distance) C4'-P energy: -7.420
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -9.215
flat angles P-C4'-P energy: -5.217
tors. eta vs tors. theta energy: -4.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -213.283449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.283449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.283449 (E_RNA)
where:
Base-Base interactions energy: -143.613
where: short stacking energy: -65.833
Base-Backbone interact. energy: -0.001
local terms energy: -69.670308
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -15.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -208.951808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.951808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.951808 (E_RNA)
where:
Base-Base interactions energy: -142.491
where: short stacking energy: -65.384
Base-Backbone interact. energy: -0.001
local terms energy: -66.460158
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -9.705
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -18.070
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: 6
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -205.290875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.290875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.290875 (E_RNA)
where:
Base-Base interactions energy: -141.494
where: short stacking energy: -61.167
Base-Backbone interact. energy: -0.030
local terms energy: -63.766803
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -12.760
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -5.710
tors. eta vs tors. theta energy: -17.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -207.929941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.929941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.929941 (E_RNA)
where:
Base-Base interactions energy: -140.598
where: short stacking energy: -58.311
Base-Backbone interact. energy: -1.586
local terms energy: -65.746108
where:
bonds (distance) C4'-P energy: -9.522
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -18.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -198.808818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.808818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.808818 (E_RNA)
where:
Base-Base interactions energy: -132.739
where: short stacking energy: -53.316
Base-Backbone interact. energy: -0.005
local terms energy: -66.064732
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -14.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -193.710533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.710533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.710533 (E_RNA)
where:
Base-Base interactions energy: -139.716
where: short stacking energy: -63.758
Base-Backbone interact. energy: -0.043
local terms energy: -53.951212
where:
bonds (distance) C4'-P energy: -6.079
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: -13.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -177.709075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.709075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.709075 (E_RNA)
where:
Base-Base interactions energy: -121.479
where: short stacking energy: -51.256
Base-Backbone interact. energy: -0.085
local terms energy: -56.145045
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -8.544
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -11.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -170.992075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.992075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.992075 (E_RNA)
where:
Base-Base interactions energy: -121.633
where: short stacking energy: -48.412
Base-Backbone interact. energy: -0.118
local terms energy: -49.241336
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -5.455
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -8.620
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: 9, replica: 7
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -74.480755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.480755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.480755 (E_RNA)
where:
Base-Base interactions energy: -27.650
where: short stacking energy: -27.300
Base-Backbone interact. energy: -0.070
local terms energy: -46.761193
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -10.703
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: 0.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -70.871196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.871196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.871196 (E_RNA)
where:
Base-Base interactions energy: -25.838
where: short stacking energy: -24.182
Base-Backbone interact. energy: -0.175
local terms energy: -44.858442
where:
bonds (distance) C4'-P energy: -9.113
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -6.857
tors. eta vs tors. theta energy: -3.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -207.128309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.128309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.128309 (E_RNA)
where:
Base-Base interactions energy: -137.492
where: short stacking energy: -62.053
Base-Backbone interact. energy: -0.229
local terms energy: -69.407666
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -15.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -206.239338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.239338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.239338 (E_RNA)
where:
Base-Base interactions energy: -142.551
where: short stacking energy: -59.356
Base-Backbone interact. energy: -0.001
local terms energy: -63.687391
where:
bonds (distance) C4'-P energy: -10.007
bonds (distance) P-C4' energy: -12.242
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -17.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -210.133929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.133929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.133929 (E_RNA)
where:
Base-Base interactions energy: -146.035
where: short stacking energy: -64.520
Base-Backbone interact. energy: -1.020
local terms energy: -63.078276
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -11.359
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: -17.236
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: 9
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -206.639057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.639057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.639057 (E_RNA)
where:
Base-Base interactions energy: -139.408
where: short stacking energy: -61.098
Base-Backbone interact. energy: -0.000
local terms energy: -67.230866
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -18.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -195.882239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.882239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.882239 (E_RNA)
where:
Base-Base interactions energy: -134.961
where: short stacking energy: -58.613
Base-Backbone interact. energy: -0.559
local terms energy: -60.362500
where:
bonds (distance) C4'-P energy: -9.644
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -12.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -187.862478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.862478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.862478 (E_RNA)
where:
Base-Base interactions energy: -132.927
where: short stacking energy: -51.362
Base-Backbone interact. energy: -0.218
local terms energy: -54.717187
where:
bonds (distance) C4'-P energy: -9.043
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -9.702
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -10.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -185.431621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.431621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.431621 (E_RNA)
where:
Base-Base interactions energy: -133.002
where: short stacking energy: -52.789
Base-Backbone interact. energy: -0.162
local terms energy: -52.268354
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -7.383
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: 7
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -78.849473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.849473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.849473 (E_RNA)
where:
Base-Base interactions energy: -33.880
where: short stacking energy: -28.050
Base-Backbone interact. energy: 0.019
local terms energy: -44.987917
where:
bonds (distance) C4'-P energy: -9.325
bonds (distance) P-C4' energy: -9.419
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -2.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -181.839566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.839566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.839566 (E_RNA)
where:
Base-Base interactions energy: -126.641
where: short stacking energy: -54.835
Base-Backbone interact. energy: -0.328
local terms energy: -54.870595
where:
bonds (distance) C4'-P energy: -6.584
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -5.724
tors. eta vs tors. theta energy: -17.428
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: 10, replica: 8
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -65.050105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.050105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.050105 (E_RNA)
where:
Base-Base interactions energy: -31.675
where: short stacking energy: -31.065
Base-Backbone interact. energy: 0.162
local terms energy: -33.536845
where:
bonds (distance) C4'-P energy: -10.843
bonds (distance) P-C4' energy: -10.665
flat angles C4'-P-C4' energy: -6.622
flat angles P-C4'-P energy: -3.374
tors. eta vs tors. theta energy: -2.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -210.944529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.944529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.944529 (E_RNA)
where:
Base-Base interactions energy: -143.750
where: short stacking energy: -66.150
Base-Backbone interact. energy: -0.029
local terms energy: -67.165834
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -17.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -211.249540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.249540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.249540 (E_RNA)
where:
Base-Base interactions energy: -143.857
where: short stacking energy: -65.651
Base-Backbone interact. energy: -0.292
local terms energy: -67.100502
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -17.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -205.313348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.313348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.313348 (E_RNA)
where:
Base-Base interactions energy: -136.884
where: short stacking energy: -61.334
Base-Backbone interact. energy: 0.284
local terms energy: -68.713458
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -20.526
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: 4, replica: 1
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -208.413010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.413010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.413010 (E_RNA)
where:
Base-Base interactions energy: -139.368
where: short stacking energy: -65.536
Base-Backbone interact. energy: -0.245
local terms energy: -68.800002
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -19.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -186.127218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.127218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.127218 (E_RNA)
where:
Base-Base interactions energy: -134.379
where: short stacking energy: -54.412
Base-Backbone interact. energy: -0.212
local terms energy: -51.536141
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -10.172
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -3.880
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: 6, replica: 5
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -198.040116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.040116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.040116 (E_RNA)
where:
Base-Base interactions energy: -143.331
where: short stacking energy: -52.377
Base-Backbone interact. energy: 0.288
local terms energy: -54.997298
where:
bonds (distance) C4'-P energy: -10.310
bonds (distance) P-C4' energy: -12.901
flat angles C4'-P-C4' energy: -7.950
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -13.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -76.115197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.115197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.115197 (E_RNA)
where:
Base-Base interactions energy: -24.912
where: short stacking energy: -24.912
Base-Backbone interact. energy: -1.393
local terms energy: -49.809614
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -11.471
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -0.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -182.022911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.022911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.022911 (E_RNA)
where:
Base-Base interactions energy: -126.977
where: short stacking energy: -51.981
Base-Backbone interact. energy: -0.244
local terms energy: -54.801646
where:
bonds (distance) C4'-P energy: -9.031
bonds (distance) P-C4' energy: -10.913
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -14.426
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: 10
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -181.020660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.020660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.020660 (E_RNA)
where:
Base-Base interactions energy: -127.085
where: short stacking energy: -56.557
Base-Backbone interact. energy: -0.078
local terms energy: -53.857274
where:
bonds (distance) C4'-P energy: -11.286
bonds (distance) P-C4' energy: -10.229
flat angles C4'-P-C4' energy: -10.828
flat angles P-C4'-P energy: -5.445
tors. eta vs tors. theta energy: -16.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -76.197113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.197113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.197113 (E_RNA)
where:
Base-Base interactions energy: -36.338
where: short stacking energy: -15.944
Base-Backbone interact. energy: -0.158
local terms energy: -39.701069
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -10.557
flat angles P-C4'-P energy: -5.794
tors. eta vs tors. theta energy: 0.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -210.673190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.673190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.673190 (E_RNA)
where:
Base-Base interactions energy: -145.213
where: short stacking energy: -61.001
Base-Backbone interact. energy: -0.238
local terms energy: -65.222216
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -15.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -207.969537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.969537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.969537 (E_RNA)
where:
Base-Base interactions energy: -142.268
where: short stacking energy: -66.572
Base-Backbone interact. energy: -0.422
local terms energy: -65.279390
where:
bonds (distance) C4'-P energy: -8.695
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -17.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -208.221122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.221122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.221122 (E_RNA)
where:
Base-Base interactions energy: -148.884
where: short stacking energy: -59.323
Base-Backbone interact. energy: -0.122
local terms energy: -59.215049
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -6.387
tors. eta vs tors. theta energy: -16.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -204.819732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.819732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.819732 (E_RNA)
where:
Base-Base interactions energy: -141.656
where: short stacking energy: -65.517
Base-Backbone interact. energy: -1.733
local terms energy: -61.431460
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -8.443
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -11.454
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: 5, replica: 2
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -194.758329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.758329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.758329 (E_RNA)
where:
Base-Base interactions energy: -131.841
where: short stacking energy: -57.076
Base-Backbone interact. energy: -0.395
local terms energy: -62.523057
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -11.120
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -11.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -195.215923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.215923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.215923 (E_RNA)
where:
Base-Base interactions energy: -132.433
where: short stacking energy: -49.783
Base-Backbone interact. energy: -0.113
local terms energy: -62.669585
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -14.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -75.819241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.819241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.819241 (E_RNA)
where:
Base-Base interactions energy: -26.875
where: short stacking energy: -25.743
Base-Backbone interact. energy: -0.325
local terms energy: -48.619566
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -7.089
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: 8, replica: 10
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -173.572446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.572446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.572446 (E_RNA)
where:
Base-Base interactions energy: -123.513
where: short stacking energy: -53.929
Base-Backbone interact. energy: 0.105
local terms energy: -50.164934
where:
bonds (distance) C4'-P energy: -8.589
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -8.275
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -10.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -141.714448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.714448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.714448 (E_RNA)
where:
Base-Base interactions energy: -95.678
where: short stacking energy: -39.350
Base-Backbone interact. energy: -0.116
local terms energy: -45.920388
where:
bonds (distance) C4'-P energy: -9.035
bonds (distance) P-C4' energy: -8.498
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: -8.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -69.761120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.761120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.761120 (E_RNA)
where:
Base-Base interactions energy: -36.654
where: short stacking energy: -24.894
Base-Backbone interact. energy: -0.353
local terms energy: -32.754908
where:
bonds (distance) C4'-P energy: -6.087
bonds (distance) P-C4' energy: -8.540
flat angles C4'-P-C4' energy: -8.519
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -1.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -212.417759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.417759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.417759 (E_RNA)
where:
Base-Base interactions energy: -138.621
where: short stacking energy: -63.502
Base-Backbone interact. energy: -1.302
local terms energy: -72.494916
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -12.330
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: 6
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -206.142591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.142591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.142591 (E_RNA)
where:
Base-Base interactions energy: -141.466
where: short stacking energy: -66.417
Base-Backbone interact. energy: -1.150
local terms energy: -63.526662
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -11.732
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -18.966
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: 3, replica: 1
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -205.845233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.845233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.845233 (E_RNA)
where:
Base-Base interactions energy: -139.892
where: short stacking energy: -55.782
Base-Backbone interact. energy: -0.169
local terms energy: -65.783640
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -16.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -202.083644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.083644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.083644 (E_RNA)
where:
Base-Base interactions energy: -136.349
where: short stacking energy: -62.217
Base-Backbone interact. energy: -0.003
local terms energy: -65.732002
where:
bonds (distance) C4'-P energy: -11.025
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -16.717
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: 2
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -189.409686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.409686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.409686 (E_RNA)
where:
Base-Base interactions energy: -128.374
where: short stacking energy: -49.004
Base-Backbone interact. energy: -0.055
local terms energy: -60.981123
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -10.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -191.536254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.536254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.536254 (E_RNA)
where:
Base-Base interactions energy: -126.414
where: short stacking energy: -54.280
Base-Backbone interact. energy: -0.001
local terms energy: -65.121065
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: -17.322
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: 188
Temperature: 1.200000
Total energy: -200.065706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.065706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.065706 (E_RNA)
where:
Base-Base interactions energy: -133.440
where: short stacking energy: -62.547
Base-Backbone interact. energy: -0.970
local terms energy: -65.655109
where:
bonds (distance) C4'-P energy: -11.142
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -9.839
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -18.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -75.680184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.680184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.680184 (E_RNA)
where:
Base-Base interactions energy: -36.340
where: short stacking energy: -35.405
Base-Backbone interact. energy: -0.028
local terms energy: -39.311377
where:
bonds (distance) C4'-P energy: -5.314
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -5.717
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: 3
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -184.452933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.452933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.452933 (E_RNA)
where:
Base-Base interactions energy: -130.597
where: short stacking energy: -63.501
Base-Backbone interact. energy: -0.036
local terms energy: -53.819622
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -9.834
flat angles C4'-P-C4' energy: -10.615
flat angles P-C4'-P energy: -7.150
tors. eta vs tors. theta energy: -14.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -98.528448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.528448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.528448 (E_RNA)
where:
Base-Base interactions energy: -50.022
where: short stacking energy: -29.119
Base-Backbone interact. energy: -0.519
local terms energy: -47.986915
where:
bonds (distance) C4'-P energy: -8.775
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -11.411
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -6.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -208.202346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.202346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.202346 (E_RNA)
where:
Base-Base interactions energy: -140.415
where: short stacking energy: -61.778
Base-Backbone interact. energy: -0.628
local terms energy: -67.158939
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -14.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -207.942227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.942227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.942227 (E_RNA)
where:
Base-Base interactions energy: -143.002
where: short stacking energy: -58.574
Base-Backbone interact. energy: 0.093
local terms energy: -65.033145
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -16.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -207.681124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.681124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.681124 (E_RNA)
where:
Base-Base interactions energy: -137.055
where: short stacking energy: -63.980
Base-Backbone interact. energy: -0.321
local terms energy: -70.305156
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -16.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -202.554566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.554566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.554566 (E_RNA)
where:
Base-Base interactions energy: -133.879
where: short stacking energy: -63.003
Base-Backbone interact. energy: 2.306
local terms energy: -70.981009
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -19.132
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: 2
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -191.467251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.467251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.467251 (E_RNA)
where:
Base-Base interactions energy: -134.351
where: short stacking energy: -56.142
Base-Backbone interact. energy: -0.187
local terms energy: -56.929475
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -10.790
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -13.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -192.076811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.076811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.076811 (E_RNA)
where:
Base-Base interactions energy: -124.707
where: short stacking energy: -55.565
Base-Backbone interact. energy: 1.496
local terms energy: -68.865965
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -19.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -188.755429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.755429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.755429 (E_RNA)
where:
Base-Base interactions energy: -123.890
where: short stacking energy: -52.260
Base-Backbone interact. energy: -0.028
local terms energy: -64.837556
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -10.735
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -16.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -190.795962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.795962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.795962 (E_RNA)
where:
Base-Base interactions energy: -126.847
where: short stacking energy: -61.785
Base-Backbone interact. energy: -0.097
local terms energy: -63.851932
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -19.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -81.448060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.448060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.448060 (E_RNA)
where:
Base-Base interactions energy: -35.219
where: short stacking energy: -35.219
Base-Backbone interact. energy: -0.007
local terms energy: -46.222391
where:
bonds (distance) C4'-P energy: -6.840
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -4.332
tors. eta vs tors. theta energy: -6.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -72.074105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.074105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.074105 (E_RNA)
where:
Base-Base interactions energy: -32.604
where: short stacking energy: -29.871
Base-Backbone interact. energy: -0.239
local terms energy: -39.230690
where:
bonds (distance) C4'-P energy: -9.234
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -11.042
flat angles P-C4'-P energy: -3.244
tors. eta vs tors. theta energy: -3.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -204.516295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.516295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.516295 (E_RNA)
where:
Base-Base interactions energy: -132.727
where: short stacking energy: -58.613
Base-Backbone interact. energy: -0.025
local terms energy: -71.764442
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -12.948
tors. eta vs tors. theta energy: -15.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -199.826934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.826934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.826934 (E_RNA)
where:
Base-Base interactions energy: -140.899
where: short stacking energy: -55.719
Base-Backbone interact. energy: -0.094
local terms energy: -58.834140
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: -12.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -202.962378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.962378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.962378 (E_RNA)
where:
Base-Base interactions energy: -144.290
where: short stacking energy: -62.434
Base-Backbone interact. energy: -0.009
local terms energy: -58.663088
where:
bonds (distance) C4'-P energy: -9.806
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -10.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -201.367020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.367020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.367020 (E_RNA)
where:
Base-Base interactions energy: -134.217
where: short stacking energy: -62.620
Base-Backbone interact. energy: -0.000
local terms energy: -67.149883
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -16.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -198.881906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.881906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.881906 (E_RNA)
where:
Base-Base interactions energy: -140.314
where: short stacking energy: -60.119
Base-Backbone interact. energy: -0.001
local terms energy: -58.566799
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -9.832
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -16.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -187.661383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.661383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.661383 (E_RNA)
where:
Base-Base interactions energy: -128.216
where: short stacking energy: -56.950
Base-Backbone interact. energy: -0.290
local terms energy: -59.155990
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -9.993
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -14.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -187.425906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.425906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.425906 (E_RNA)
where:
Base-Base interactions energy: -128.882
where: short stacking energy: -55.717
Base-Backbone interact. energy: -0.195
local terms energy: -58.349574
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -6.359
tors. eta vs tors. theta energy: -12.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -185.862598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.862598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.862598 (E_RNA)
where:
Base-Base interactions energy: -132.142
where: short stacking energy: -49.894
Base-Backbone interact. energy: -0.027
local terms energy: -53.693766
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -10.979
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -5.673
tors. eta vs tors. theta energy: -10.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -73.205970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.205970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.205970 (E_RNA)
where:
Base-Base interactions energy: -36.114
where: short stacking energy: -31.719
Base-Backbone interact. energy: -0.050
local terms energy: -37.042533
where:
bonds (distance) C4'-P energy: -4.992
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -7.536
flat angles P-C4'-P energy: -4.982
tors. eta vs tors. theta energy: -6.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -72.048370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.048370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.048370 (E_RNA)
where:
Base-Base interactions energy: -26.972
where: short stacking energy: -25.982
Base-Backbone interact. energy: -0.126
local terms energy: -44.950435
where:
bonds (distance) C4'-P energy: -9.445
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -5.994
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -6.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -213.233362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.233362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.233362 (E_RNA)
where:
Base-Base interactions energy: -145.903
where: short stacking energy: -65.090
Base-Backbone interact. energy: -0.043
local terms energy: -67.287393
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -7.605
tors. eta vs tors. theta energy: -16.644
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: 9
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -208.892774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.892774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.892774 (E_RNA)
where:
Base-Base interactions energy: -142.579
where: short stacking energy: -53.448
Base-Backbone interact. energy: -0.167
local terms energy: -66.146830
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -11.331
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -17.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -204.958398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.958398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.958398 (E_RNA)
where:
Base-Base interactions energy: -139.078
where: short stacking energy: -60.331
Base-Backbone interact. energy: -0.239
local terms energy: -65.641954
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -16.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -207.792916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.792916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.792916 (E_RNA)
where:
Base-Base interactions energy: -138.680
where: short stacking energy: -64.176
Base-Backbone interact. energy: -0.281
local terms energy: -68.831773
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -12.039
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -19.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -195.144292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.144292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.144292 (E_RNA)
where:
Base-Base interactions energy: -130.998
where: short stacking energy: -56.196
Base-Backbone interact. energy: -0.008
local terms energy: -64.138337
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -16.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -194.726238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.726238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.726238 (E_RNA)
where:
Base-Base interactions energy: -131.922
where: short stacking energy: -58.729
Base-Backbone interact. energy: -0.006
local terms energy: -62.797848
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -9.808
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -17.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -185.111491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.111491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.111491 (E_RNA)
where:
Base-Base interactions energy: -125.249
where: short stacking energy: -56.026
Base-Backbone interact. energy: -0.000
local terms energy: -59.862594
where:
bonds (distance) C4'-P energy: -10.311
bonds (distance) P-C4' energy: -13.002
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -15.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -176.459752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.459752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.459752 (E_RNA)
where:
Base-Base interactions energy: -117.563
where: short stacking energy: -53.993
Base-Backbone interact. energy: -0.088
local terms energy: -58.808828
where:
bonds (distance) C4'-P energy: -3.720
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -13.502
tors. eta vs tors. theta energy: -15.698
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: 7
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -75.607195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.607195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.607195 (E_RNA)
where:
Base-Base interactions energy: -29.777
where: short stacking energy: -30.177
Base-Backbone interact. energy: -0.608
local terms energy: -45.222560
where:
bonds (distance) C4'-P energy: -8.118
bonds (distance) P-C4' energy: -11.069
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -6.174
tors. eta vs tors. theta energy: -6.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -71.497409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.497409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.497409 (E_RNA)
where:
Base-Base interactions energy: -26.868
where: short stacking energy: -20.657
Base-Backbone interact. energy: -0.232
local terms energy: -44.396954
where:
bonds (distance) C4'-P energy: -9.570
bonds (distance) P-C4' energy: -12.685
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: 0.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -216.767715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.767715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.767715 (E_RNA)
where:
Base-Base interactions energy: -145.839
where: short stacking energy: -61.240
Base-Backbone interact. energy: -0.294
local terms energy: -70.635276
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -17.994
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: 9
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -209.595774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.595774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.595774 (E_RNA)
where:
Base-Base interactions energy: -148.205
where: short stacking energy: -57.277
Base-Backbone interact. energy: -0.048
local terms energy: -61.341944
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -11.625
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -14.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -208.041415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.041415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.041415 (E_RNA)
where:
Base-Base interactions energy: -137.300
where: short stacking energy: -56.891
Base-Backbone interact. energy: -0.495
local terms energy: -70.246825
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -14.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -201.371421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.371421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.371421 (E_RNA)
where:
Base-Base interactions energy: -139.576
where: short stacking energy: -64.068
Base-Backbone interact. energy: -0.019
local terms energy: -61.776408
where:
bonds (distance) C4'-P energy: -10.299
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: -16.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -192.980408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.980408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.980408 (E_RNA)
where:
Base-Base interactions energy: -131.413
where: short stacking energy: -55.074
Base-Backbone interact. energy: -0.344
local terms energy: -61.223852
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -9.929
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -15.812
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: 6, replica: 6
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -195.414565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.414565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.414565 (E_RNA)
where:
Base-Base interactions energy: -131.597
where: short stacking energy: -60.520
Base-Backbone interact. energy: -0.002
local terms energy: -63.815239
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -16.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -193.795624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.795624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.795624 (E_RNA)
where:
Base-Base interactions energy: -130.455
where: short stacking energy: -60.270
Base-Backbone interact. energy: -0.000
local terms energy: -63.340192
where:
bonds (distance) C4'-P energy: -11.824
bonds (distance) P-C4' energy: -11.896
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -5.468
tors. eta vs tors. theta energy: -19.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -192.447747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.447747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.447747 (E_RNA)
where:
Base-Base interactions energy: -131.183
where: short stacking energy: -55.259
Base-Backbone interact. energy: -0.487
local terms energy: -60.777798
where:
bonds (distance) C4'-P energy: -8.812
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -15.548
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: 8
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -79.454170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.454170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.454170 (E_RNA)
where:
Base-Base interactions energy: -37.469
where: short stacking energy: -26.925
Base-Backbone interact. energy: -0.062
local terms energy: -41.922604
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -9.297
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -0.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -72.249466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.249466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.249466 (E_RNA)
where:
Base-Base interactions energy: -30.045
where: short stacking energy: -31.618
Base-Backbone interact. energy: 2.964
local terms energy: -45.168950
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -8.461
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -3.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -212.655232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.655232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.655232 (E_RNA)
where:
Base-Base interactions energy: -143.386
where: short stacking energy: -67.282
Base-Backbone interact. energy: -1.127
local terms energy: -68.142031
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -6.727
tors. eta vs tors. theta energy: -18.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -212.727749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.727749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.727749 (E_RNA)
where:
Base-Base interactions energy: -140.996
where: short stacking energy: -55.033
Base-Backbone interact. energy: -0.595
local terms energy: -71.136963
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -17.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -205.523581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.523581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.523581 (E_RNA)
where:
Base-Base interactions energy: -142.469
where: short stacking energy: -56.698
Base-Backbone interact. energy: -0.444
local terms energy: -62.610648
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -10.934
flat angles C4'-P-C4' energy: -11.767
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -16.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -206.521559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.521559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.521559 (E_RNA)
where:
Base-Base interactions energy: -137.488
where: short stacking energy: -62.801
Base-Backbone interact. energy: -2.315
local terms energy: -66.718750
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -18.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -187.723039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.723039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.723039 (E_RNA)
where:
Base-Base interactions energy: -128.107
where: short stacking energy: -57.261
Base-Backbone interact. energy: -0.031
local terms energy: -59.585003
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -8.133
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: -17.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -197.786791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.786791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.786791 (E_RNA)
where:
Base-Base interactions energy: -142.614
where: short stacking energy: -58.921
Base-Backbone interact. energy: -0.003
local terms energy: -55.168854
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -14.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -187.581538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.581538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.581538 (E_RNA)
where:
Base-Base interactions energy: -129.147
where: short stacking energy: -50.814
Base-Backbone interact. energy: -0.157
local terms energy: -58.278144
where:
bonds (distance) C4'-P energy: -10.121
bonds (distance) P-C4' energy: -7.343
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -16.228
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: 8, replica: 10
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -187.023175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.023175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.023175 (E_RNA)
where:
Base-Base interactions energy: -125.144
where: short stacking energy: -56.040
Base-Backbone interact. energy: -0.489
local terms energy: -61.390047
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -13.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -84.208482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.208482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.208482 (E_RNA)
where:
Base-Base interactions energy: -48.082
where: short stacking energy: -27.547
Base-Backbone interact. energy: -0.475
local terms energy: -35.651539
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -7.186
flat angles C4'-P-C4' energy: -6.707
flat angles P-C4'-P energy: -4.537
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: 7
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -64.787741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.787741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.787741 (E_RNA)
where:
Base-Base interactions energy: -19.699
where: short stacking energy: -17.503
Base-Backbone interact. energy: 0.943
local terms energy: -46.031551
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -11.073
flat angles P-C4'-P energy: -8.909
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: 2
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -215.815354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.815354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.815354 (E_RNA)
where:
Base-Base interactions energy: -147.408
where: short stacking energy: -63.583
Base-Backbone interact. energy: -0.616
local terms energy: -67.791518
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -17.447
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: 1
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -201.774011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.774011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.774011 (E_RNA)
where:
Base-Base interactions energy: -140.572
where: short stacking energy: -60.681
Base-Backbone interact. energy: -0.133
local terms energy: -61.068831
where:
bonds (distance) C4'-P energy: -9.511
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -13.928
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: 194
Temperature: 1.000000
Total energy: -207.366606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.366606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.366606 (E_RNA)
where:
Base-Base interactions energy: -145.163
where: short stacking energy: -69.607
Base-Backbone interact. energy: -1.342
local terms energy: -60.861683
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -5.023
tors. eta vs tors. theta energy: -18.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -196.600899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.600899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.600899 (E_RNA)
where:
Base-Base interactions energy: -135.904
where: short stacking energy: -55.784
Base-Backbone interact. energy: -0.285
local terms energy: -60.411847
where:
bonds (distance) C4'-P energy: -7.433
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -16.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -199.995689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.995689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.995689 (E_RNA)
where:
Base-Base interactions energy: -134.269
where: short stacking energy: -61.553
Base-Backbone interact. energy: -0.003
local terms energy: -65.723937
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -11.564
flat angles P-C4'-P energy: -10.972
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: 6, replica: 3
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -185.582547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.582547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.582547 (E_RNA)
where:
Base-Base interactions energy: -122.823
where: short stacking energy: -52.486
Base-Backbone interact. energy: -0.121
local terms energy: -62.638635
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -14.171
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -12.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -182.433889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.433889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.433889 (E_RNA)
where:
Base-Base interactions energy: -128.502
where: short stacking energy: -54.256
Base-Backbone interact. energy: -0.051
local terms energy: -53.880399
where:
bonds (distance) C4'-P energy: -8.779
bonds (distance) P-C4' energy: -9.257
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -12.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -188.563582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.563582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.563582 (E_RNA)
where:
Base-Base interactions energy: -129.294
where: short stacking energy: -52.277
Base-Backbone interact. energy: -0.144
local terms energy: -59.125597
where:
bonds (distance) C4'-P energy: -5.909
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -12.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -77.682620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.682620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.682620 (E_RNA)
where:
Base-Base interactions energy: -28.803
where: short stacking energy: -28.594
Base-Backbone interact. energy: -0.011
local terms energy: -48.868547
where:
bonds (distance) C4'-P energy: -10.214
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -11.593
flat angles P-C4'-P energy: -6.717
tors. eta vs tors. theta energy: -7.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -72.030678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.030678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.030678 (E_RNA)
where:
Base-Base interactions energy: -32.412
where: short stacking energy: -28.395
Base-Backbone interact. energy: 0.227
local terms energy: -39.844948
where:
bonds (distance) C4'-P energy: -9.231
bonds (distance) P-C4' energy: -11.996
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: 1.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -210.722277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.722277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.722277 (E_RNA)
where:
Base-Base interactions energy: -137.401
where: short stacking energy: -60.315
Base-Backbone interact. energy: -0.002
local terms energy: -73.319419
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -17.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -212.551030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.551030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.551030 (E_RNA)
where:
Base-Base interactions energy: -145.541
where: short stacking energy: -67.020
Base-Backbone interact. energy: -0.002
local terms energy: -67.008114
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -20.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -211.913678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.913678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.913678 (E_RNA)
where:
Base-Base interactions energy: -137.329
where: short stacking energy: -67.565
Base-Backbone interact. energy: -0.588
local terms energy: -73.996990
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -19.194
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: 4, replica: 5
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -206.090218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.090218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.090218 (E_RNA)
where:
Base-Base interactions energy: -135.603
where: short stacking energy: -56.950
Base-Backbone interact. energy: -0.489
local terms energy: -69.998800
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -18.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -199.275769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.275769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.275769 (E_RNA)
where:
Base-Base interactions energy: -135.924
where: short stacking energy: -63.023
Base-Backbone interact. energy: -0.075
local terms energy: -63.276672
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -17.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -203.162306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.162306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.162306 (E_RNA)
where:
Base-Base interactions energy: -138.619
where: short stacking energy: -59.771
Base-Backbone interact. energy: -0.004
local terms energy: -64.538786
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -7.453
tors. eta vs tors. theta energy: -17.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -194.694414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.694414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.694414 (E_RNA)
where:
Base-Base interactions energy: -133.337
where: short stacking energy: -56.553
Base-Backbone interact. energy: -0.012
local terms energy: -61.345704
where:
bonds (distance) C4'-P energy: -12.478
bonds (distance) P-C4' energy: -11.226
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -7.604
tors. eta vs tors. theta energy: -15.115
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: 8, replica: 6
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -181.743176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.743176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.743176 (E_RNA)
where:
Base-Base interactions energy: -120.889
where: short stacking energy: -46.392
Base-Backbone interact. energy: -1.254
local terms energy: -59.600531
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -5.876
tors. eta vs tors. theta energy: -12.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -78.850920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.850920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.850920 (E_RNA)
where:
Base-Base interactions energy: -44.367
where: short stacking energy: -16.936
Base-Backbone interact. energy: -0.977
local terms energy: -33.507221
where:
bonds (distance) C4'-P energy: -8.970
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -6.738
flat angles P-C4'-P energy: -5.165
tors. eta vs tors. theta energy: 1.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -74.336846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.336846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.336846 (E_RNA)
where:
Base-Base interactions energy: -28.684
where: short stacking energy: -24.196
Base-Backbone interact. energy: -0.037
local terms energy: -45.615817
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -7.896
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -2.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -215.036128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.036128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.036128 (E_RNA)
where:
Base-Base interactions energy: -142.009
where: short stacking energy: -71.236
Base-Backbone interact. energy: -0.025
local terms energy: -73.001180
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -11.372
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: 2, replica: 2
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -211.075517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.075517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.075517 (E_RNA)
where:
Base-Base interactions energy: -147.617
where: short stacking energy: -61.784
Base-Backbone interact. energy: -0.788
local terms energy: -62.670661
where:
bonds (distance) C4'-P energy: -7.718
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -8.567
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: 3, replica: 1
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -204.068622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.068622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.068622 (E_RNA)
where:
Base-Base interactions energy: -142.145
where: short stacking energy: -48.759
Base-Backbone interact. energy: 0.707
local terms energy: -62.630559
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -13.086
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: 5
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -197.986392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.986392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.986392 (E_RNA)
where:
Base-Base interactions energy: -133.755
where: short stacking energy: -59.137
Base-Backbone interact. energy: -0.073
local terms energy: -64.158910
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -16.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -195.165697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.165697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.165697 (E_RNA)
where:
Base-Base interactions energy: -130.020
where: short stacking energy: -62.825
Base-Backbone interact. energy: -0.032
local terms energy: -65.113290
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -10.699
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -17.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -196.999644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.999644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.999644 (E_RNA)
where:
Base-Base interactions energy: -130.588
where: short stacking energy: -54.658
Base-Backbone interact. energy: -0.003
local terms energy: -66.408780
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -10.163
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -18.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -190.253257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.253257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.253257 (E_RNA)
where:
Base-Base interactions energy: -128.025
where: short stacking energy: -57.352
Base-Backbone interact. energy: -0.218
local terms energy: -62.010355
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -9.958
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -16.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -181.814674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.814674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.814674 (E_RNA)
where:
Base-Base interactions energy: -120.677
where: short stacking energy: -49.912
Base-Backbone interact. energy: -0.002
local terms energy: -61.135749
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -11.818
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -14.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -68.529518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.529518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.529518 (E_RNA)
where:
Base-Base interactions energy: -23.266
where: short stacking energy: -23.266
Base-Backbone interact. energy: 0.174
local terms energy: -45.437937
where:
bonds (distance) C4'-P energy: -8.650
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: -3.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -83.161617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.161617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.161617 (E_RNA)
where:
Base-Base interactions energy: -44.920
where: short stacking energy: -28.401
Base-Backbone interact. energy: -0.092
local terms energy: -38.150045
where:
bonds (distance) C4'-P energy: -10.653
bonds (distance) P-C4' energy: -8.457
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -4.634
tors. eta vs tors. theta energy: -3.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -216.198517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.198517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.198517 (E_RNA)
where:
Base-Base interactions energy: -143.521
where: short stacking energy: -68.602
Base-Backbone interact. energy: -1.287
local terms energy: -71.390714
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -19.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -211.414252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.414252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.414252 (E_RNA)
where:
Base-Base interactions energy: -146.879
where: short stacking energy: -59.523
Base-Backbone interact. energy: -1.131
local terms energy: -63.404143
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -14.431
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: 2
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -199.044304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.044304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.044304 (E_RNA)
where:
Base-Base interactions energy: -131.876
where: short stacking energy: -54.284
Base-Backbone interact. energy: 0.058
local terms energy: -67.226384
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: -18.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -201.823109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.823109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.823109 (E_RNA)
where:
Base-Base interactions energy: -138.664
where: short stacking energy: -54.709
Base-Backbone interact. energy: 0.835
local terms energy: -63.994021
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -11.325
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: 5, replica: 5
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -200.523038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.523038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.523038 (E_RNA)
where:
Base-Base interactions energy: -140.379
where: short stacking energy: -61.823
Base-Backbone interact. energy: -0.001
local terms energy: -60.143183
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -9.461
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -16.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -196.285170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.285170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.285170 (E_RNA)
where:
Base-Base interactions energy: -128.451
where: short stacking energy: -63.118
Base-Backbone interact. energy: -0.294
local terms energy: -67.540317
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -16.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -184.907568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.907568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.907568 (E_RNA)
where:
Base-Base interactions energy: -126.814
where: short stacking energy: -61.999
Base-Backbone interact. energy: -0.053
local terms energy: -58.040603
where:
bonds (distance) C4'-P energy: -9.471
bonds (distance) P-C4' energy: -8.997
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -18.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -184.354182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.354182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.354182 (E_RNA)
where:
Base-Base interactions energy: -123.490
where: short stacking energy: -60.224
Base-Backbone interact. energy: -0.011
local terms energy: -60.852600
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -9.742
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -14.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -83.228075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.228075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.228075 (E_RNA)
where:
Base-Base interactions energy: -34.128
where: short stacking energy: -34.128
Base-Backbone interact. energy: 0.120
local terms energy: -49.220562
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -12.308
flat angles C4'-P-C4' energy: -9.869
flat angles P-C4'-P energy: -6.417
tors. eta vs tors. theta energy: -9.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -70.015444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.015444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.015444 (E_RNA)
where:
Base-Base interactions energy: -24.655
where: short stacking energy: -23.059
Base-Backbone interact. energy: -0.047
local terms energy: -45.313601
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -10.591
flat angles C4'-P-C4' energy: -11.171
flat angles P-C4'-P energy: -8.359
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: 1, replica: 1
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -212.378651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.378651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.378651 (E_RNA)
where:
Base-Base interactions energy: -140.016
where: short stacking energy: -65.032
Base-Backbone interact. energy: -0.576
local terms energy: -71.786673
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -18.952
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: 4
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -208.380317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.380317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.380317 (E_RNA)
where:
Base-Base interactions energy: -136.202
where: short stacking energy: -60.484
Base-Backbone interact. energy: -0.033
local terms energy: -72.145382
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -16.187
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: 10
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -207.633623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.633623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.633623 (E_RNA)
where:
Base-Base interactions energy: -140.853
where: short stacking energy: -64.033
Base-Backbone interact. energy: -0.003
local terms energy: -66.778130
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -17.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -204.519948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.519948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.519948 (E_RNA)
where:
Base-Base interactions energy: -135.403
where: short stacking energy: -61.315
Base-Backbone interact. energy: -0.684
local terms energy: -68.432219
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -11.590
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -19.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -201.003858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.003858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.003858 (E_RNA)
where:
Base-Base interactions energy: -136.033
where: short stacking energy: -62.363
Base-Backbone interact. energy: -0.670
local terms energy: -64.301253
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -9.961
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -18.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -196.842368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.842368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.842368 (E_RNA)
where:
Base-Base interactions energy: -134.108
where: short stacking energy: -60.391
Base-Backbone interact. energy: -0.078
local terms energy: -62.656500
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -12.210
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -17.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -190.274427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.274427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.274427 (E_RNA)
where:
Base-Base interactions energy: -133.382
where: short stacking energy: -57.184
Base-Backbone interact. energy: -0.996
local terms energy: -55.895927
where:
bonds (distance) C4'-P energy: -7.515
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -14.443
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: 3
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -176.143770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.143770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.143770 (E_RNA)
where:
Base-Base interactions energy: -117.932
where: short stacking energy: -48.986
Base-Backbone interact. energy: -0.436
local terms energy: -57.775658
where:
bonds (distance) C4'-P energy: -9.478
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -11.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -76.316440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.316440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.316440 (E_RNA)
where:
Base-Base interactions energy: -32.750
where: short stacking energy: -18.829
Base-Backbone interact. energy: 2.108
local terms energy: -45.674209
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -10.838
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -4.729
tors. eta vs tors. theta energy: -6.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -70.574358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.574358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.574358 (E_RNA)
where:
Base-Base interactions energy: -23.509
where: short stacking energy: -19.601
Base-Backbone interact. energy: -0.173
local terms energy: -46.891712
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: 1.739
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: 1
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -206.882157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.882157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.882157 (E_RNA)
where:
Base-Base interactions energy: -138.488
where: short stacking energy: -64.175
Base-Backbone interact. energy: -0.352
local terms energy: -68.042319
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -18.546
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: 2, replica: 10
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -211.576728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.576728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.576728 (E_RNA)
where:
Base-Base interactions energy: -141.297
where: short stacking energy: -69.518
Base-Backbone interact. energy: -1.034
local terms energy: -69.245876
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -10.962
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: 3, replica: 4
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -202.184762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.184762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.184762 (E_RNA)
where:
Base-Base interactions energy: -136.558
where: short stacking energy: -54.119
Base-Backbone interact. energy: -0.004
local terms energy: -65.622548
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -19.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -202.168873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.168873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.168873 (E_RNA)
where:
Base-Base interactions energy: -139.337
where: short stacking energy: -47.377
Base-Backbone interact. energy: -0.258
local terms energy: -62.573866
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -13.649
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -7.393
tors. eta vs tors. theta energy: -16.559
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: 2
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -197.593665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.593665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.593665 (E_RNA)
where:
Base-Base interactions energy: -140.358
where: short stacking energy: -58.182
Base-Backbone interact. energy: -0.004
local terms energy: -57.231184
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -12.059
flat angles P-C4'-P energy: -8.400
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: 6, replica: 5
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -205.673170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.673170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.673170 (E_RNA)
where:
Base-Base interactions energy: -143.189
where: short stacking energy: -59.742
Base-Backbone interact. energy: -0.014
local terms energy: -62.470745
where:
bonds (distance) C4'-P energy: -9.131
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -17.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -169.654773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.654773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.654773 (E_RNA)
where:
Base-Base interactions energy: -122.805
where: short stacking energy: -51.609
Base-Backbone interact. energy: -0.081
local terms energy: -46.769692
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -10.982
flat angles C4'-P-C4' energy: -7.873
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: -8.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -78.117260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.117260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.117260 (E_RNA)
where:
Base-Base interactions energy: -28.247
where: short stacking energy: -28.156
Base-Backbone interact. energy: -0.346
local terms energy: -49.524338
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -9.963
flat angles P-C4'-P energy: -5.645
tors. eta vs tors. theta energy: -5.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -189.959835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.959835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.959835 (E_RNA)
where:
Base-Base interactions energy: -131.988
where: short stacking energy: -54.437
Base-Backbone interact. energy: -0.124
local terms energy: -57.848117
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: -13.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -73.841673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.841673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.841673 (E_RNA)
where:
Base-Base interactions energy: -29.615
where: short stacking energy: -29.615
Base-Backbone interact. energy: -0.028
local terms energy: -44.198537
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -9.946
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: -0.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -216.269524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.269524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.269524 (E_RNA)
where:
Base-Base interactions energy: -144.835
where: short stacking energy: -65.422
Base-Backbone interact. energy: -0.670
local terms energy: -70.764747
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: -20.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -203.177965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.177965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.177965 (E_RNA)
where:
Base-Base interactions energy: -136.410
where: short stacking energy: -58.123
Base-Backbone interact. energy: -0.000
local terms energy: -66.767169
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -17.653
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: 9
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -201.942620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.942620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.942620 (E_RNA)
where:
Base-Base interactions energy: -144.343
where: short stacking energy: -54.064
Base-Backbone interact. energy: -0.122
local terms energy: -57.477938
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -8.220
flat angles P-C4'-P energy: -7.608
tors. eta vs tors. theta energy: -15.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -195.411876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.411876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.411876 (E_RNA)
where:
Base-Base interactions energy: -136.536
where: short stacking energy: -59.035
Base-Backbone interact. energy: -0.001
local terms energy: -58.875047
where:
bonds (distance) C4'-P energy: -11.003
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -15.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -204.764485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.764485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.764485 (E_RNA)
where:
Base-Base interactions energy: -138.720
where: short stacking energy: -63.362
Base-Backbone interact. energy: -0.323
local terms energy: -65.721307
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -15.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -189.631001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.631001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.631001 (E_RNA)
where:
Base-Base interactions energy: -130.811
where: short stacking energy: -56.708
Base-Backbone interact. energy: -0.309
local terms energy: -58.511246
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -7.429
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -14.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -168.401976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.401976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.401976 (E_RNA)
where:
Base-Base interactions energy: -112.353
where: short stacking energy: -43.111
Base-Backbone interact. energy: -0.882
local terms energy: -55.167689
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -11.922
flat angles P-C4'-P energy: -5.845
tors. eta vs tors. theta energy: -8.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -78.254010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.254010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.254010 (E_RNA)
where:
Base-Base interactions energy: -32.545
where: short stacking energy: -27.507
Base-Backbone interact. energy: -0.319
local terms energy: -45.390602
where:
bonds (distance) C4'-P energy: -10.495
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -6.107
tors. eta vs tors. theta energy: -4.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -169.401380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.401380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.401380 (E_RNA)
where:
Base-Base interactions energy: -120.252
where: short stacking energy: -53.297
Base-Backbone interact. energy: -0.007
local terms energy: -49.142205
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -8.581
flat angles C4'-P-C4' energy: -10.201
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -12.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -66.969405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.969405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.969405 (E_RNA)
where:
Base-Base interactions energy: -23.101
where: short stacking energy: -23.101
Base-Backbone interact. energy: -0.104
local terms energy: -43.764683
where:
bonds (distance) C4'-P energy: -9.378
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -8.923
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -4.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -212.996694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.996694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.996694 (E_RNA)
where:
Base-Base interactions energy: -141.653
where: short stacking energy: -63.296
Base-Backbone interact. energy: -1.928
local terms energy: -69.415306
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -12.760
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -19.797
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: 1
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -206.594202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.594202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.594202 (E_RNA)
where:
Base-Base interactions energy: -145.616
where: short stacking energy: -63.404
Base-Backbone interact. energy: -0.008
local terms energy: -60.970053
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -15.380
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: 3, replica: 9
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -200.875688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.875688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.875688 (E_RNA)
where:
Base-Base interactions energy: -138.977
where: short stacking energy: -57.851
Base-Backbone interact. energy: -0.031
local terms energy: -61.867830
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -16.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -200.809059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.809059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.809059 (E_RNA)
where:
Base-Base interactions energy: -137.520
where: short stacking energy: -62.643
Base-Backbone interact. energy: -0.001
local terms energy: -63.288288
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -18.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -187.558313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.558313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.558313 (E_RNA)
where:
Base-Base interactions energy: -137.017
where: short stacking energy: -60.101
Base-Backbone interact. energy: -0.044
local terms energy: -50.497424
where:
bonds (distance) C4'-P energy: -7.391
bonds (distance) P-C4' energy: -6.939
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -8.072
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: 6, replica: 6
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -189.522711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.522711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.522711 (E_RNA)
where:
Base-Base interactions energy: -126.631
where: short stacking energy: -54.601
Base-Backbone interact. energy: -0.063
local terms energy: -62.828625
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: -13.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -180.115402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.115402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.115402 (E_RNA)
where:
Base-Base interactions energy: -120.549
where: short stacking energy: -54.043
Base-Backbone interact. energy: -0.001
local terms energy: -59.565582
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -5.598
tors. eta vs tors. theta energy: -13.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -185.670307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.670307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.670307 (E_RNA)
where:
Base-Base interactions energy: -123.990
where: short stacking energy: -54.420
Base-Backbone interact. energy: -0.478
local terms energy: -61.202136
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -9.080
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -16.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -75.527405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.527405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.527405 (E_RNA)
where:
Base-Base interactions energy: -31.265
where: short stacking energy: -31.265
Base-Backbone interact. energy: -0.072
local terms energy: -44.191038
where:
bonds (distance) C4'-P energy: -7.690
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -5.111
tors. eta vs tors. theta energy: -4.462
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: 10, replica: 8
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -78.339901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.339901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.339901 (E_RNA)
where:
Base-Base interactions energy: -41.797
where: short stacking energy: -18.291
Base-Backbone interact. energy: -0.086
local terms energy: -36.456320
where:
bonds (distance) C4'-P energy: -7.702
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -9.812
flat angles P-C4'-P energy: -3.730
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: 1, replica: 10
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -211.495140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.495140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.495140 (E_RNA)
where:
Base-Base interactions energy: -143.094
where: short stacking energy: -62.689
Base-Backbone interact. energy: -0.001
local terms energy: -68.400259
where:
bonds (distance) C4'-P energy: -12.230
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -19.096
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: 1
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -207.629651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.629651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.629651 (E_RNA)
where:
Base-Base interactions energy: -145.464
where: short stacking energy: -66.325
Base-Backbone interact. energy: -0.001
local terms energy: -62.165170
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -10.077
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -14.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -200.992377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.992377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.992377 (E_RNA)
where:
Base-Base interactions energy: -137.512
where: short stacking energy: -57.126
Base-Backbone interact. energy: -0.001
local terms energy: -63.478875
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -16.651
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: 9
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -203.459812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.459812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.459812 (E_RNA)
where:
Base-Base interactions energy: -137.538
where: short stacking energy: -65.423
Base-Backbone interact. energy: -0.003
local terms energy: -65.919074
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -16.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -188.698676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.698676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.698676 (E_RNA)
where:
Base-Base interactions energy: -129.968
where: short stacking energy: -59.320
Base-Backbone interact. energy: -0.834
local terms energy: -57.896478
where:
bonds (distance) C4'-P energy: -7.275
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -13.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -196.069926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.069926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.069926 (E_RNA)
where:
Base-Base interactions energy: -131.318
where: short stacking energy: -65.600
Base-Backbone interact. energy: -0.575
local terms energy: -64.175998
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -18.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -192.932207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.932207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.932207 (E_RNA)
where:
Base-Base interactions energy: -132.881
where: short stacking energy: -62.602
Base-Backbone interact. energy: -0.002
local terms energy: -60.049325
where:
bonds (distance) C4'-P energy: -7.636
bonds (distance) P-C4' energy: -14.441
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -15.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -186.523661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.523661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.523661 (E_RNA)
where:
Base-Base interactions energy: -133.894
where: short stacking energy: -60.001
Base-Backbone interact. energy: -0.146
local terms energy: -52.483307
where:
bonds (distance) C4'-P energy: -11.100
bonds (distance) P-C4' energy: -11.166
flat angles C4'-P-C4' energy: -10.756
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -10.682
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: 8
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -99.060170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.060170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.060170 (E_RNA)
where:
Base-Base interactions energy: -56.322
where: short stacking energy: -26.162
Base-Backbone interact. energy: -0.163
local terms energy: -42.574567
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -11.238
flat angles P-C4'-P energy: -4.005
tors. eta vs tors. theta energy: 1.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -76.693671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.693671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.693671 (E_RNA)
where:
Base-Base interactions energy: -31.987
where: short stacking energy: -31.987
Base-Backbone interact. energy: -0.083
local terms energy: -44.624404
where:
bonds (distance) C4'-P energy: -10.384
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -7.563
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: -5.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -211.267711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.267711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.267711 (E_RNA)
where:
Base-Base interactions energy: -146.385
where: short stacking energy: -64.317
Base-Backbone interact. energy: -0.000
local terms energy: -64.882289
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -11.858
flat angles C4'-P-C4' energy: -10.613
flat angles P-C4'-P energy: -12.424
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: 2, replica: 2
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -213.197400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.197400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.197400 (E_RNA)
where:
Base-Base interactions energy: -144.025
where: short stacking energy: -64.879
Base-Backbone interact. energy: -0.000
local terms energy: -69.171877
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -16.407
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: 3, replica: 1
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -205.039273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.039273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.039273 (E_RNA)
where:
Base-Base interactions energy: -141.228
where: short stacking energy: -61.323
Base-Backbone interact. energy: 0.999
local terms energy: -64.810554
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -14.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -197.257709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.257709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.257709 (E_RNA)
where:
Base-Base interactions energy: -136.228
where: short stacking energy: -58.558
Base-Backbone interact. energy: -0.869
local terms energy: -60.160629
where:
bonds (distance) C4'-P energy: -10.281
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -6.046
tors. eta vs tors. theta energy: -17.513
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: 5, replica: 9
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -194.362811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.362811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.362811 (E_RNA)
where:
Base-Base interactions energy: -132.352
where: short stacking energy: -54.183
Base-Backbone interact. energy: -0.497
local terms energy: -61.513774
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -5.195
tors. eta vs tors. theta energy: -15.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -189.017865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.017865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.017865 (E_RNA)
where:
Base-Base interactions energy: -124.563
where: short stacking energy: -55.749
Base-Backbone interact. energy: -0.512
local terms energy: -63.942993
where:
bonds (distance) C4'-P energy: -9.809
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -13.139
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: 203
Temperature: 1.200000
Total energy: -190.592448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.592448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.592448 (E_RNA)
where:
Base-Base interactions energy: -132.920
where: short stacking energy: -56.110
Base-Backbone interact. energy: -0.214
local terms energy: -57.458308
where:
bonds (distance) C4'-P energy: -6.547
bonds (distance) P-C4' energy: -10.938
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -15.885
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: 203
Temperature: 1.250000
Total energy: -174.267065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.267065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.267065 (E_RNA)
where:
Base-Base interactions energy: -131.299
where: short stacking energy: -45.588
Base-Backbone interact. energy: -0.563
local terms energy: -42.405092
where:
bonds (distance) C4'-P energy: -1.310
bonds (distance) P-C4' energy: -9.780
flat angles C4'-P-C4' energy: -11.630
flat angles P-C4'-P energy: -5.333
tors. eta vs tors. theta energy: -14.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -71.470653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.470653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.470653 (E_RNA)
where:
Base-Base interactions energy: -33.698
where: short stacking energy: -32.351
Base-Backbone interact. energy: -0.027
local terms energy: -37.745356
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -10.128
flat angles C4'-P-C4' energy: -8.711
flat angles P-C4'-P energy: -2.389
tors. eta vs tors. theta energy: -3.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -83.461648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.461648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.461648 (E_RNA)
where:
Base-Base interactions energy: -37.148
where: short stacking energy: -27.105
Base-Backbone interact. energy: -0.153
local terms energy: -46.160989
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -11.815
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: 1.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -211.344827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.344827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.344827 (E_RNA)
where:
Base-Base interactions energy: -136.943
where: short stacking energy: -63.011
Base-Backbone interact. energy: -0.148
local terms energy: -74.254052
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: -18.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -211.629159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.629159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.629159 (E_RNA)
where:
Base-Base interactions energy: -149.323
where: short stacking energy: -60.346
Base-Backbone interact. energy: -0.005
local terms energy: -62.300859
where:
bonds (distance) C4'-P energy: -10.355
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -6.753
tors. eta vs tors. theta energy: -16.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -205.429261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.429261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.429261 (E_RNA)
where:
Base-Base interactions energy: -143.665
where: short stacking energy: -61.577
Base-Backbone interact. energy: -0.002
local terms energy: -61.762779
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -10.595
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -14.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -196.770717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.770717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.770717 (E_RNA)
where:
Base-Base interactions energy: -133.197
where: short stacking energy: -64.103
Base-Backbone interact. energy: -0.007
local terms energy: -63.566714
where:
bonds (distance) C4'-P energy: -9.313
bonds (distance) P-C4' energy: -12.329
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -16.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -192.728125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.728125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.728125 (E_RNA)
where:
Base-Base interactions energy: -130.979
where: short stacking energy: -57.229
Base-Backbone interact. energy: -0.012
local terms energy: -61.737383
where:
bonds (distance) C4'-P energy: -9.697
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -13.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -196.273148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.273148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.273148 (E_RNA)
where:
Base-Base interactions energy: -136.338
where: short stacking energy: -60.803
Base-Backbone interact. energy: -0.506
local terms energy: -59.428958
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -11.374
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -5.661
tors. eta vs tors. theta energy: -17.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -172.464319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.464319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.464319 (E_RNA)
where:
Base-Base interactions energy: -114.616
where: short stacking energy: -53.094
Base-Backbone interact. energy: -0.006
local terms energy: -57.842846
where:
bonds (distance) C4'-P energy: -8.092
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -16.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -164.849682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.849682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.849682 (E_RNA)
where:
Base-Base interactions energy: -102.768
where: short stacking energy: -51.205
Base-Backbone interact. energy: 0.085
local terms energy: -62.166007
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -12.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -74.484702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.484702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.484702 (E_RNA)
where:
Base-Base interactions energy: -30.682
where: short stacking energy: -27.413
Base-Backbone interact. energy: -0.129
local terms energy: -43.673945
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -10.093
flat angles P-C4'-P energy: -4.043
tors. eta vs tors. theta energy: -0.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -73.196249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.196249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.196249 (E_RNA)
where:
Base-Base interactions energy: -26.944
where: short stacking energy: -15.181
Base-Backbone interact. energy: -0.314
local terms energy: -45.938266
where:
bonds (distance) C4'-P energy: -11.220
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -6.426
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: 2
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -212.224847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.224847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.224847 (E_RNA)
where:
Base-Base interactions energy: -142.048
where: short stacking energy: -67.384
Base-Backbone interact. energy: -0.042
local terms energy: -70.134463
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: -10.016
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: 2, replica: 1
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -214.608946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.608946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.608946 (E_RNA)
where:
Base-Base interactions energy: -147.242
where: short stacking energy: -68.697
Base-Backbone interact. energy: -0.010
local terms energy: -67.356803
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -10.146
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -10.371
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: 3, replica: 10
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -205.737912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.737912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.737912 (E_RNA)
where:
Base-Base interactions energy: -136.594
where: short stacking energy: -66.266
Base-Backbone interact. energy: -0.122
local terms energy: -69.021405
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -18.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -200.253251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.253251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.253251 (E_RNA)
where:
Base-Base interactions energy: -131.156
where: short stacking energy: -52.346
Base-Backbone interact. energy: -0.292
local terms energy: -68.804871
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -18.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -189.844328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.844328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.844328 (E_RNA)
where:
Base-Base interactions energy: -129.273
where: short stacking energy: -58.760
Base-Backbone interact. energy: -0.181
local terms energy: -60.390274
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -9.844
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -9.741
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: 6, replica: 9
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -190.778426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.778426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.778426 (E_RNA)
where:
Base-Base interactions energy: -134.321
where: short stacking energy: -55.453
Base-Backbone interact. energy: -0.126
local terms energy: -56.331855
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -10.151
flat angles C4'-P-C4' energy: -11.747
flat angles P-C4'-P energy: -6.519
tors. eta vs tors. theta energy: -13.978
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: 7, replica: 6
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -190.218178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.218178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.218178 (E_RNA)
where:
Base-Base interactions energy: -138.862
where: short stacking energy: -66.206
Base-Backbone interact. energy: -0.349
local terms energy: -51.008144
where:
bonds (distance) C4'-P energy: -7.454
bonds (distance) P-C4' energy: -8.361
flat angles C4'-P-C4' energy: -9.995
flat angles P-C4'-P energy: -5.346
tors. eta vs tors. theta energy: -19.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -185.641483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.641483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.641483 (E_RNA)
where:
Base-Base interactions energy: -127.295
where: short stacking energy: -49.120
Base-Backbone interact. energy: 0.297
local terms energy: -58.643638
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -11.732
flat angles C4'-P-C4' energy: -8.503
flat angles P-C4'-P energy: -10.310
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: 9, replica: 7
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -81.072935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.072935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.072935 (E_RNA)
where:
Base-Base interactions energy: -29.349
where: short stacking energy: -25.224
Base-Backbone interact. energy: 1.050
local terms energy: -52.773192
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -11.808
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -6.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -105.679745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.679745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.679745 (E_RNA)
where:
Base-Base interactions energy: -59.145
where: short stacking energy: -34.613
Base-Backbone interact. energy: -0.543
local terms energy: -45.991173
where:
bonds (distance) C4'-P energy: -9.064
bonds (distance) P-C4' energy: -11.233
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -7.031
tors. eta vs tors. theta energy: -5.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -210.897809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.897809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.897809 (E_RNA)
where:
Base-Base interactions energy: -140.448
where: short stacking energy: -62.200
Base-Backbone interact. energy: -0.995
local terms energy: -69.454571
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -18.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -209.885445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.885445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.885445 (E_RNA)
where:
Base-Base interactions energy: -138.035
where: short stacking energy: -65.582
Base-Backbone interact. energy: -0.165
local terms energy: -71.684736
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -20.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -207.903336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.903336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.903336 (E_RNA)
where:
Base-Base interactions energy: -141.294
where: short stacking energy: -66.366
Base-Backbone interact. energy: -1.187
local terms energy: -65.422545
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -19.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -206.798092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.798092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.798092 (E_RNA)
where:
Base-Base interactions energy: -133.980
where: short stacking energy: -63.602
Base-Backbone interact. energy: -0.001
local terms energy: -72.817524
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -18.833
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: 9
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -213.657557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.657557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.657557 (E_RNA)
where:
Base-Base interactions energy: -150.370
where: short stacking energy: -61.132
Base-Backbone interact. energy: -0.550
local terms energy: -62.737039
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -9.258
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -17.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -186.233698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.233698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.233698 (E_RNA)
where:
Base-Base interactions energy: -124.305
where: short stacking energy: -52.628
Base-Backbone interact. energy: -0.780
local terms energy: -61.148356
where:
bonds (distance) C4'-P energy: -12.175
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -13.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -182.206922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.206922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.206922 (E_RNA)
where:
Base-Base interactions energy: -124.801
where: short stacking energy: -49.575
Base-Backbone interact. energy: -0.551
local terms energy: -56.854373
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -9.819
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -10.361
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: 5
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -188.232958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.232958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.232958 (E_RNA)
where:
Base-Base interactions energy: -133.697
where: short stacking energy: -62.893
Base-Backbone interact. energy: -0.003
local terms energy: -54.533239
where:
bonds (distance) C4'-P energy: -9.532
bonds (distance) P-C4' energy: -10.324
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -5.410
tors. eta vs tors. theta energy: -15.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -107.369591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.369591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.369591 (E_RNA)
where:
Base-Base interactions energy: -71.499
where: short stacking energy: -35.145
Base-Backbone interact. energy: -0.211
local terms energy: -35.659469
where:
bonds (distance) C4'-P energy: -6.099
bonds (distance) P-C4' energy: -8.000
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -3.547
tors. eta vs tors. theta energy: -6.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -77.829815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.829815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.829815 (E_RNA)
where:
Base-Base interactions energy: -31.066
where: short stacking energy: -28.730
Base-Backbone interact. energy: -0.171
local terms energy: -46.593496
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -8.886
flat angles P-C4'-P energy: -4.414
tors. eta vs tors. theta energy: -5.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -213.718714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.718714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.718714 (E_RNA)
where:
Base-Base interactions energy: -144.672
where: short stacking energy: -72.349
Base-Backbone interact. energy: -0.008
local terms energy: -69.039051
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -20.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -201.758791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.758791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.758791 (E_RNA)
where:
Base-Base interactions energy: -137.910
where: short stacking energy: -64.187
Base-Backbone interact. energy: -0.001
local terms energy: -63.847923
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -9.913
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -16.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -208.611775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.611775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.611775 (E_RNA)
where:
Base-Base interactions energy: -146.782
where: short stacking energy: -63.688
Base-Backbone interact. energy: -0.239
local terms energy: -61.590935
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -18.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -203.159918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.159918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.159918 (E_RNA)
where:
Base-Base interactions energy: -136.149
where: short stacking energy: -60.865
Base-Backbone interact. energy: -0.123
local terms energy: -66.888168
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -16.433
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: 9
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -175.417611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.417611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.417611 (E_RNA)
where:
Base-Base interactions energy: -119.062
where: short stacking energy: -58.191
Base-Backbone interact. energy: -0.617
local terms energy: -55.738640
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -6.837
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -15.354
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: 6, replica: 6
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -194.878948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.878948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.878948 (E_RNA)
where:
Base-Base interactions energy: -132.216
where: short stacking energy: -62.323
Base-Backbone interact. energy: -0.015
local terms energy: -62.647641
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -8.883
flat angles C4'-P-C4' energy: -11.629
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -18.634
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: 4
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -189.357017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.357017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.357017 (E_RNA)
where:
Base-Base interactions energy: -132.338
where: short stacking energy: -58.030
Base-Backbone interact. energy: -0.001
local terms energy: -57.018316
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -9.464
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -15.555
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: 5
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -171.421016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.421016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.421016 (E_RNA)
where:
Base-Base interactions energy: -116.974
where: short stacking energy: -46.921
Base-Backbone interact. energy: -0.794
local terms energy: -53.653201
where:
bonds (distance) C4'-P energy: -10.711
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -5.477
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: 8
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -67.408447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.408447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.408447 (E_RNA)
where:
Base-Base interactions energy: -25.989
where: short stacking energy: -23.030
Base-Backbone interact. energy: -0.311
local terms energy: -41.109071
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -7.938
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: 3.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -118.348551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.348551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.348551 (E_RNA)
where:
Base-Base interactions energy: -76.542
where: short stacking energy: -31.331
Base-Backbone interact. energy: -0.128
local terms energy: -41.679408
where:
bonds (distance) C4'-P energy: -6.432
bonds (distance) P-C4' energy: -10.219
flat angles C4'-P-C4' energy: -11.331
flat angles P-C4'-P energy: -5.888
tors. eta vs tors. theta energy: -7.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -214.173777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.173777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.173777 (E_RNA)
where:
Base-Base interactions energy: -143.253
where: short stacking energy: -66.724
Base-Backbone interact. energy: -0.015
local terms energy: -70.905397
where:
bonds (distance) C4'-P energy: -11.172
bonds (distance) P-C4' energy: -12.618
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -20.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -206.875482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.875482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.875482 (E_RNA)
where:
Base-Base interactions energy: -139.583
where: short stacking energy: -55.972
Base-Backbone interact. energy: -0.045
local terms energy: -67.247731
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -15.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -210.979449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.979449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.979449 (E_RNA)
where:
Base-Base interactions energy: -147.193
where: short stacking energy: -65.559
Base-Backbone interact. energy: -0.001
local terms energy: -63.785481
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -16.264
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: 208
Temperature: 1.050000
Total energy: -205.796255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.796255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.796255 (E_RNA)
where:
Base-Base interactions energy: -138.277
where: short stacking energy: -64.651
Base-Backbone interact. energy: -0.280
local terms energy: -67.239605
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -10.332
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -19.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -199.243956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.243956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.243956 (E_RNA)
where:
Base-Base interactions energy: -140.475
where: short stacking energy: -57.754
Base-Backbone interact. energy: -0.033
local terms energy: -58.735389
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -10.997
flat angles P-C4'-P energy: -7.989
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: 6, replica: 9
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -192.416163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.416163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.416163 (E_RNA)
where:
Base-Base interactions energy: -135.401
where: short stacking energy: -57.790
Base-Backbone interact. energy: -0.470
local terms energy: -56.544636
where:
bonds (distance) C4'-P energy: -8.713
bonds (distance) P-C4' energy: -12.537
flat angles C4'-P-C4' energy: -12.634
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -14.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -191.921828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.921828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.921828 (E_RNA)
where:
Base-Base interactions energy: -134.712
where: short stacking energy: -57.081
Base-Backbone interact. energy: -0.283
local terms energy: -56.927171
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -11.182
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -14.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -188.149653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.149653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.149653 (E_RNA)
where:
Base-Base interactions energy: -130.071
where: short stacking energy: -60.930
Base-Backbone interact. energy: -0.201
local terms energy: -57.877575
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -10.293
flat angles P-C4'-P energy: -7.098
tors. eta vs tors. theta energy: -16.548
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: 7
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -110.117830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.117830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.117830 (E_RNA)
where:
Base-Base interactions energy: -65.426
where: short stacking energy: -25.157
Base-Backbone interact. energy: -0.260
local terms energy: -44.431549
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -8.781
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -1.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -74.854949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.854949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.854949 (E_RNA)
where:
Base-Base interactions energy: -30.518
where: short stacking energy: -21.090
Base-Backbone interact. energy: -1.471
local terms energy: -42.865878
where:
bonds (distance) C4'-P energy: -9.347
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -9.431
flat angles P-C4'-P energy: -7.047
tors. eta vs tors. theta energy: -1.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -216.445829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.445829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.445829 (E_RNA)
where:
Base-Base interactions energy: -148.794
where: short stacking energy: -69.624
Base-Backbone interact. energy: -0.576
local terms energy: -67.075822
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -6.965
tors. eta vs tors. theta energy: -18.731
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: 1
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -212.241280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.241280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.241280 (E_RNA)
where:
Base-Base interactions energy: -141.876
where: short stacking energy: -60.275
Base-Backbone interact. energy: -0.378
local terms energy: -69.986824
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -16.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -209.822132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.822132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.822132 (E_RNA)
where:
Base-Base interactions energy: -141.406
where: short stacking energy: -62.192
Base-Backbone interact. energy: -0.240
local terms energy: -68.175746
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -17.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -201.727998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.727998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.727998 (E_RNA)
where:
Base-Base interactions energy: -138.646
where: short stacking energy: -61.446
Base-Backbone interact. energy: -0.000
local terms energy: -63.081324
where:
bonds (distance) C4'-P energy: -10.179
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -12.615
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -16.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -198.129913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.129913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.129913 (E_RNA)
where:
Base-Base interactions energy: -138.268
where: short stacking energy: -56.073
Base-Backbone interact. energy: -0.533
local terms energy: -59.329478
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -11.061
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -15.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -194.983903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.983903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.983903 (E_RNA)
where:
Base-Base interactions energy: -130.877
where: short stacking energy: -63.871
Base-Backbone interact. energy: -0.043
local terms energy: -64.063941
where:
bonds (distance) C4'-P energy: -10.380
bonds (distance) P-C4' energy: -10.324
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -18.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -195.417758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.417758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.417758 (E_RNA)
where:
Base-Base interactions energy: -137.458
where: short stacking energy: -63.481
Base-Backbone interact. energy: -1.056
local terms energy: -56.903120
where:
bonds (distance) C4'-P energy: -8.186
bonds (distance) P-C4' energy: -10.723
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -16.744
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: 8, replica: 5
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -157.298433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.298433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.298433 (E_RNA)
where:
Base-Base interactions energy: -103.964
where: short stacking energy: -44.814
Base-Backbone interact. energy: -0.503
local terms energy: -52.831071
where:
bonds (distance) C4'-P energy: -9.824
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -10.887
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -9.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -75.880139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.880139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.880139 (E_RNA)
where:
Base-Base interactions energy: -34.527
where: short stacking energy: -15.146
Base-Backbone interact. energy: -0.194
local terms energy: -41.158920
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -4.452
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: 10, replica: 8
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -97.249776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.249776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.249776 (E_RNA)
where:
Base-Base interactions energy: -45.345
where: short stacking energy: -29.944
Base-Backbone interact. energy: -0.135
local terms energy: -51.768823
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -2.472
tors. eta vs tors. theta energy: -6.319
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: 1
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -212.729780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.729780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.729780 (E_RNA)
where:
Base-Base interactions energy: -144.102
where: short stacking energy: -58.799
Base-Backbone interact. energy: -1.361
local terms energy: -67.266695
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -5.543
tors. eta vs tors. theta energy: -18.731
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: 2
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -208.446800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.446800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.446800 (E_RNA)
where:
Base-Base interactions energy: -144.706
where: short stacking energy: -63.709
Base-Backbone interact. energy: -0.001
local terms energy: -63.740050
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -8.260
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: -19.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -204.836536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.836536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.836536 (E_RNA)
where:
Base-Base interactions energy: -133.829
where: short stacking energy: -63.595
Base-Backbone interact. energy: -0.008
local terms energy: -70.999440
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -17.099
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: 6
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -194.959322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.959322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.959322 (E_RNA)
where:
Base-Base interactions energy: -135.552
where: short stacking energy: -60.765
Base-Backbone interact. energy: -0.280
local terms energy: -59.126766
where:
bonds (distance) C4'-P energy: -9.059
bonds (distance) P-C4' energy: -10.969
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -7.487
tors. eta vs tors. theta energy: -17.271
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: 4
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -188.095298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.095298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.095298 (E_RNA)
where:
Base-Base interactions energy: -135.617
where: short stacking energy: -49.802
Base-Backbone interact. energy: -1.522
local terms energy: -50.956547
where:
bonds (distance) C4'-P energy: -9.772
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -10.372
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: -9.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -191.753504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.753504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.753504 (E_RNA)
where:
Base-Base interactions energy: -129.769
where: short stacking energy: -56.439
Base-Backbone interact. energy: -0.060
local terms energy: -61.924677
where:
bonds (distance) C4'-P energy: -8.253
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -14.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -192.424890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.424890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.424890 (E_RNA)
where:
Base-Base interactions energy: -134.485
where: short stacking energy: -58.554
Base-Backbone interact. energy: -0.116
local terms energy: -57.823526
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -12.252
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -5.986
tors. eta vs tors. theta energy: -14.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -140.769931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.769931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.769931 (E_RNA)
where:
Base-Base interactions energy: -86.727
where: short stacking energy: -41.907
Base-Backbone interact. energy: -0.187
local terms energy: -53.855728
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -6.952
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -128.662460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.662460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.662460 (E_RNA)
where:
Base-Base interactions energy: -80.365
where: short stacking energy: -34.877
Base-Backbone interact. energy: -0.131
local terms energy: -48.166376
where:
bonds (distance) C4'-P energy: -7.082
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -10.267
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -7.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -76.714719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.714719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.714719 (E_RNA)
where:
Base-Base interactions energy: -39.157
where: short stacking energy: -17.785
Base-Backbone interact. energy: 0.685
local terms energy: -38.243420
where:
bonds (distance) C4'-P energy: -10.667
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -7.426
flat angles P-C4'-P energy: -9.155
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: 1
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -209.660751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.660751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.660751 (E_RNA)
where:
Base-Base interactions energy: -143.352
where: short stacking energy: -69.583
Base-Backbone interact. energy: -0.003
local terms energy: -66.305966
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -16.490
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: 211
Temperature: 0.950000
Total energy: -212.306833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.306833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.306833 (E_RNA)
where:
Base-Base interactions energy: -143.650
where: short stacking energy: -66.175
Base-Backbone interact. energy: -0.574
local terms energy: -68.082669
where:
bonds (distance) C4'-P energy: -8.899
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -18.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -202.938738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.938738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.938738 (E_RNA)
where:
Base-Base interactions energy: -141.418
where: short stacking energy: -60.273
Base-Backbone interact. energy: -0.017
local terms energy: -61.503743
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -7.994
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: 4, replica: 4
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -195.238236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.238236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.238236 (E_RNA)
where:
Base-Base interactions energy: -128.858
where: short stacking energy: -57.839
Base-Backbone interact. energy: -0.221
local terms energy: -66.158755
where:
bonds (distance) C4'-P energy: -10.576
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -16.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -199.198807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.198807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.198807 (E_RNA)
where:
Base-Base interactions energy: -135.241
where: short stacking energy: -54.720
Base-Backbone interact. energy: -0.099
local terms energy: -63.859086
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -12.312
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -4.861
tors. eta vs tors. theta energy: -18.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -193.630315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.630315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.630315 (E_RNA)
where:
Base-Base interactions energy: -134.774
where: short stacking energy: -62.273
Base-Backbone interact. energy: -0.380
local terms energy: -58.476227
where:
bonds (distance) C4'-P energy: -7.478
bonds (distance) P-C4' energy: -12.699
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -14.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -177.833229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.833229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.833229 (E_RNA)
where:
Base-Base interactions energy: -122.256
where: short stacking energy: -51.656
Base-Backbone interact. energy: -0.673
local terms energy: -54.904449
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -3.798
tors. eta vs tors. theta energy: -13.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -119.054328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.054328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.054328 (E_RNA)
where:
Base-Base interactions energy: -65.416
where: short stacking energy: -31.346
Base-Backbone interact. energy: -0.502
local terms energy: -53.136492
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -16.021
flat angles C4'-P-C4' energy: -10.758
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -6.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -179.048201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.048201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.048201 (E_RNA)
where:
Base-Base interactions energy: -124.059
where: short stacking energy: -54.738
Base-Backbone interact. energy: -0.010
local terms energy: -54.979212
where:
bonds (distance) C4'-P energy: -7.142
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -9.849
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -14.741
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: 7
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -67.967669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.967669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.967669 (E_RNA)
where:
Base-Base interactions energy: -24.210
where: short stacking energy: -21.656
Base-Backbone interact. energy: -1.406
local terms energy: -42.351065
where:
bonds (distance) C4'-P energy: -10.224
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -9.594
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -1.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -209.177258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.177258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.177258 (E_RNA)
where:
Base-Base interactions energy: -140.738
where: short stacking energy: -69.093
Base-Backbone interact. energy: -0.005
local terms energy: -68.433936
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -16.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -209.870064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.870064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.870064 (E_RNA)
where:
Base-Base interactions energy: -138.533
where: short stacking energy: -65.357
Base-Backbone interact. energy: -0.403
local terms energy: -70.934268
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -17.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -212.865149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.865149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.865149 (E_RNA)
where:
Base-Base interactions energy: -137.872
where: short stacking energy: -59.828
Base-Backbone interact. energy: -0.505
local terms energy: -74.488515
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -18.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -191.275531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.275531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.275531 (E_RNA)
where:
Base-Base interactions energy: -128.450
where: short stacking energy: -59.699
Base-Backbone interact. energy: -0.079
local terms energy: -62.746149
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -15.318
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: 9
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -188.874656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.874656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.874656 (E_RNA)
where:
Base-Base interactions energy: -132.504
where: short stacking energy: -63.512
Base-Backbone interact. energy: -0.039
local terms energy: -56.331937
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -9.679
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -16.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -201.092079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.092079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.092079 (E_RNA)
where:
Base-Base interactions energy: -140.935
where: short stacking energy: -66.922
Base-Backbone interact. energy: -0.626
local terms energy: -59.531490
where:
bonds (distance) C4'-P energy: -5.073
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -11.169
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -20.171
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: 8
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -126.255632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.255632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.255632 (E_RNA)
where:
Base-Base interactions energy: -73.368
where: short stacking energy: -40.895
Base-Backbone interact. energy: -0.405
local terms energy: -52.483213
where:
bonds (distance) C4'-P energy: -6.253
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -5.249
tors. eta vs tors. theta energy: -10.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -181.426145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.426145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.426145 (E_RNA)
where:
Base-Base interactions energy: -120.344
where: short stacking energy: -48.163
Base-Backbone interact. energy: -0.587
local terms energy: -60.494871
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -10.847
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: 9, replica: 5
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -182.362264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.362264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.362264 (E_RNA)
where:
Base-Base interactions energy: -121.616
where: short stacking energy: -56.746
Base-Backbone interact. energy: -0.005
local terms energy: -60.740427
where:
bonds (distance) C4'-P energy: -10.056
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -15.729
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: 7
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -58.221487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.221487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.221487 (E_RNA)
where:
Base-Base interactions energy: -16.910
where: short stacking energy: -16.910
Base-Backbone interact. energy: 0.197
local terms energy: -41.508331
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -4.614
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: 1, replica: 3
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -212.052895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.052895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.052895 (E_RNA)
where:
Base-Base interactions energy: -143.841
where: short stacking energy: -69.430
Base-Backbone interact. energy: -0.000
local terms energy: -68.211683
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -12.315
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -16.646
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: 2, replica: 4
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -206.153420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.153420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.153420 (E_RNA)
where:
Base-Base interactions energy: -136.109
where: short stacking energy: -63.669
Base-Backbone interact. energy: -0.003
local terms energy: -70.041282
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -19.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -206.563476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.563476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.563476 (E_RNA)
where:
Base-Base interactions energy: -142.122
where: short stacking energy: -59.567
Base-Backbone interact. energy: -0.125
local terms energy: -64.316876
where:
bonds (distance) C4'-P energy: -9.611
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -16.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -196.648827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.648827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.648827 (E_RNA)
where:
Base-Base interactions energy: -137.507
where: short stacking energy: -57.250
Base-Backbone interact. energy: -0.063
local terms energy: -59.078522
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -9.447
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -14.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -194.902803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.902803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.902803 (E_RNA)
where:
Base-Base interactions energy: -134.864
where: short stacking energy: -61.198
Base-Backbone interact. energy: -0.004
local terms energy: -60.034830
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -16.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -196.395351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.395351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.395351 (E_RNA)
where:
Base-Base interactions energy: -134.585
where: short stacking energy: -57.038
Base-Backbone interact. energy: -0.058
local terms energy: -61.753047
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -10.818
flat angles C4'-P-C4' energy: -11.402
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -15.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -140.213067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.213067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.213067 (E_RNA)
where:
Base-Base interactions energy: -88.307
where: short stacking energy: -36.334
Base-Backbone interact. energy: -0.143
local terms energy: -51.763785
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -9.918
flat angles P-C4'-P energy: -9.398
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: 8, replica: 5
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -195.067166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.067166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.067166 (E_RNA)
where:
Base-Base interactions energy: -125.604
where: short stacking energy: -61.804
Base-Backbone interact. energy: -0.277
local terms energy: -69.185446
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -15.426
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: 10
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -161.435839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.435839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.435839 (E_RNA)
where:
Base-Base interactions energy: -108.030
where: short stacking energy: -53.891
Base-Backbone interact. energy: -0.089
local terms energy: -53.316904
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -9.666
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -4.096
tors. eta vs tors. theta energy: -11.680
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: 7
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -70.123934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.123934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.123934 (E_RNA)
where:
Base-Base interactions energy: -25.569
where: short stacking energy: -22.644
Base-Backbone interact. energy: -1.030
local terms energy: -43.525449
where:
bonds (distance) C4'-P energy: -8.932
bonds (distance) P-C4' energy: -9.113
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -1.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -212.357249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.357249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.357249 (E_RNA)
where:
Base-Base interactions energy: -142.600
where: short stacking energy: -68.926
Base-Backbone interact. energy: -0.000
local terms energy: -69.756803
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: -16.552
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: 4
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -208.501627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.501627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.501627 (E_RNA)
where:
Base-Base interactions energy: -137.305
where: short stacking energy: -67.017
Base-Backbone interact. energy: -0.012
local terms energy: -71.184127
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -18.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -203.303052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.303052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.303052 (E_RNA)
where:
Base-Base interactions energy: -134.383
where: short stacking energy: -59.781
Base-Backbone interact. energy: -0.003
local terms energy: -68.917232
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -17.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -205.291271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.291271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.291271 (E_RNA)
where:
Base-Base interactions energy: -147.583
where: short stacking energy: -60.668
Base-Backbone interact. energy: -0.503
local terms energy: -57.204913
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -10.388
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -6.776
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: 5, replica: 6
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -189.361219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.361219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.361219 (E_RNA)
where:
Base-Base interactions energy: -126.802
where: short stacking energy: -53.410
Base-Backbone interact. energy: -0.073
local terms energy: -62.486380
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -14.887
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: 2
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -193.418200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.418200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.418200 (E_RNA)
where:
Base-Base interactions energy: -129.756
where: short stacking energy: -52.283
Base-Backbone interact. energy: -0.114
local terms energy: -63.549062
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -10.640
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -16.148
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: 5
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -197.883064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.883064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.883064 (E_RNA)
where:
Base-Base interactions energy: -134.907
where: short stacking energy: -62.336
Base-Backbone interact. energy: -0.027
local terms energy: -62.949096
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -12.276
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: 214
Temperature: 1.250000
Total energy: -124.520463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.520463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.520463 (E_RNA)
where:
Base-Base interactions energy: -76.504
where: short stacking energy: -33.836
Base-Backbone interact. energy: -0.459
local terms energy: -47.557893
where:
bonds (distance) C4'-P energy: -10.516
bonds (distance) P-C4' energy: -8.922
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -8.144
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: 7
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -72.637875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.637875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.637875 (E_RNA)
where:
Base-Base interactions energy: -22.784
where: short stacking energy: -20.683
Base-Backbone interact. energy: 0.185
local terms energy: -50.039029
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -0.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -156.198478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.198478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.198478 (E_RNA)
where:
Base-Base interactions energy: -97.333
where: short stacking energy: -41.213
Base-Backbone interact. energy: -0.149
local terms energy: -58.716694
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -10.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -209.518498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.518498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.518498 (E_RNA)
where:
Base-Base interactions energy: -140.317
where: short stacking energy: -66.395
Base-Backbone interact. energy: -0.515
local terms energy: -68.687102
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -11.185
flat angles P-C4'-P energy: -8.546
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: 2, replica: 4
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -209.150278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.150278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.150278 (E_RNA)
where:
Base-Base interactions energy: -142.364
where: short stacking energy: -68.056
Base-Backbone interact. energy: -0.002
local terms energy: -66.783591
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -9.723
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -18.253
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: 1
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -207.107145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.107145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.107145 (E_RNA)
where:
Base-Base interactions energy: -139.510
where: short stacking energy: -60.448
Base-Backbone interact. energy: -0.000
local terms energy: -67.597097
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -15.520
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: 9
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -197.309387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.309387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.309387 (E_RNA)
where:
Base-Base interactions energy: -132.091
where: short stacking energy: -55.199
Base-Backbone interact. energy: -0.144
local terms energy: -65.073847
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -13.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -192.071042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.071042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.071042 (E_RNA)
where:
Base-Base interactions energy: -130.636
where: short stacking energy: -56.641
Base-Backbone interact. energy: -0.004
local terms energy: -61.431288
where:
bonds (distance) C4'-P energy: -9.627
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -15.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -198.816009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.816009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.816009 (E_RNA)
where:
Base-Base interactions energy: -138.735
where: short stacking energy: -59.085
Base-Backbone interact. energy: -0.310
local terms energy: -59.771898
where:
bonds (distance) C4'-P energy: -7.698
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -7.083
tors. eta vs tors. theta energy: -17.882
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: 5
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -193.111759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.111759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.111759 (E_RNA)
where:
Base-Base interactions energy: -136.210
where: short stacking energy: -60.973
Base-Backbone interact. energy: -0.412
local terms energy: -56.489235
where:
bonds (distance) C4'-P energy: -9.076
bonds (distance) P-C4' energy: -10.618
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -15.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -84.558435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.558435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.558435 (E_RNA)
where:
Base-Base interactions energy: -43.791
where: short stacking energy: -27.461
Base-Backbone interact. energy: -0.246
local terms energy: -40.520795
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -7.289
flat angles P-C4'-P energy: -4.318
tors. eta vs tors. theta energy: -3.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -115.909954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.909954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.909954 (E_RNA)
where:
Base-Base interactions energy: -70.430
where: short stacking energy: -28.540
Base-Backbone interact. energy: -0.022
local terms energy: -45.457942
where:
bonds (distance) C4'-P energy: -10.086
bonds (distance) P-C4' energy: -9.867
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -2.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -117.395963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.395963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.395963 (E_RNA)
where:
Base-Base interactions energy: -70.692
where: short stacking energy: -27.750
Base-Backbone interact. energy: -0.361
local terms energy: -46.343523
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -7.876
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -3.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -209.262409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.262409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.262409 (E_RNA)
where:
Base-Base interactions energy: -141.182
where: short stacking energy: -70.565
Base-Backbone interact. energy: -0.414
local terms energy: -67.666766
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: -19.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -204.520209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.520209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.520209 (E_RNA)
where:
Base-Base interactions energy: -146.951
where: short stacking energy: -61.549
Base-Backbone interact. energy: -0.241
local terms energy: -57.327942
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -11.020
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -15.223
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: 9
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -195.685265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.685265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.685265 (E_RNA)
where:
Base-Base interactions energy: -140.525
where: short stacking energy: -54.030
Base-Backbone interact. energy: -0.085
local terms energy: -55.075364
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -3.043
tors. eta vs tors. theta energy: -14.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -200.558374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.558374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.558374 (E_RNA)
where:
Base-Base interactions energy: -136.799
where: short stacking energy: -54.345
Base-Backbone interact. energy: 0.863
local terms energy: -64.622695
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: -15.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -192.446624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.446624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.446624 (E_RNA)
where:
Base-Base interactions energy: -131.429
where: short stacking energy: -59.002
Base-Backbone interact. energy: -0.486
local terms energy: -60.531184
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -10.289
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -15.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -195.881613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.881613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.881613 (E_RNA)
where:
Base-Base interactions energy: -136.016
where: short stacking energy: -56.163
Base-Backbone interact. energy: -0.319
local terms energy: -59.546500
where:
bonds (distance) C4'-P energy: -11.868
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -13.644
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: 5
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -188.211584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.211584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.211584 (E_RNA)
where:
Base-Base interactions energy: -133.766
where: short stacking energy: -53.863
Base-Backbone interact. energy: -0.311
local terms energy: -54.134882
where:
bonds (distance) C4'-P energy: -8.771
bonds (distance) P-C4' energy: -9.347
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -14.755
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: 7
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -81.438833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.438833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.438833 (E_RNA)
where:
Base-Base interactions energy: -31.390
where: short stacking energy: -31.390
Base-Backbone interact. energy: -0.115
local terms energy: -49.933289
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -7.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -78.895523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.895523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.895523 (E_RNA)
where:
Base-Base interactions energy: -38.783
where: short stacking energy: -26.290
Base-Backbone interact. energy: -1.588
local terms energy: -38.524529
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -7.275
flat angles P-C4'-P energy: -1.642
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: 10, replica: 8
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -107.066552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.066552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.066552 (E_RNA)
where:
Base-Base interactions energy: -69.326
where: short stacking energy: -36.915
Base-Backbone interact. energy: -1.605
local terms energy: -36.135149
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -1.759
flat angles C4'-P-C4' energy: -5.022
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -9.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -215.264343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.264343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.264343 (E_RNA)
where:
Base-Base interactions energy: -145.087
where: short stacking energy: -67.863
Base-Backbone interact. energy: -0.474
local terms energy: -69.703513
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -12.478
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -19.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -209.877511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.877511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.877511 (E_RNA)
where:
Base-Base interactions energy: -138.010
where: short stacking energy: -65.222
Base-Backbone interact. energy: -0.006
local terms energy: -71.861387
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -13.185
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -19.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -193.353228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.353228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.353228 (E_RNA)
where:
Base-Base interactions energy: -126.255
where: short stacking energy: -56.677
Base-Backbone interact. energy: -0.056
local terms energy: -67.041834
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -12.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -200.102183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.102183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.102183 (E_RNA)
where:
Base-Base interactions energy: -147.605
where: short stacking energy: -58.681
Base-Backbone interact. energy: -0.376
local terms energy: -52.121941
where:
bonds (distance) C4'-P energy: -7.627
bonds (distance) P-C4' energy: -9.661
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -13.309
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: 2
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -202.253963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.253963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.253963 (E_RNA)
where:
Base-Base interactions energy: -139.491
where: short stacking energy: -65.024
Base-Backbone interact. energy: -0.629
local terms energy: -62.133911
where:
bonds (distance) C4'-P energy: -9.280
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -19.451
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: 6, replica: 5
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -194.178620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.178620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.178620 (E_RNA)
where:
Base-Base interactions energy: -131.724
where: short stacking energy: -53.626
Base-Backbone interact. energy: -0.188
local terms energy: -62.266735
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -14.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -184.586032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.586032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.586032 (E_RNA)
where:
Base-Base interactions energy: -128.960
where: short stacking energy: -58.061
Base-Backbone interact. energy: -0.096
local terms energy: -55.529463
where:
bonds (distance) C4'-P energy: -10.211
bonds (distance) P-C4' energy: -11.633
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -12.929
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: 8, replica: 10
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -91.451743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.451743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.451743 (E_RNA)
where:
Base-Base interactions energy: -47.897
where: short stacking energy: -26.258
Base-Backbone interact. energy: -0.041
local terms energy: -43.514133
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -5.246
flat angles P-C4'-P energy: -4.963
tors. eta vs tors. theta energy: -6.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -82.355070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.355070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.355070 (E_RNA)
where:
Base-Base interactions energy: -33.219
where: short stacking energy: -28.010
Base-Backbone interact. energy: -0.089
local terms energy: -49.046461
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -3.993
tors. eta vs tors. theta energy: -6.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -79.427122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.427122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.427122 (E_RNA)
where:
Base-Base interactions energy: -46.324
where: short stacking energy: -25.451
Base-Backbone interact. energy: -0.248
local terms energy: -32.855015
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -12.049
flat angles C4'-P-C4' energy: -4.166
flat angles P-C4'-P energy: -4.974
tors. eta vs tors. theta energy: -0.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -213.187009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.187009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.187009 (E_RNA)
where:
Base-Base interactions energy: -143.133
where: short stacking energy: -63.120
Base-Backbone interact. energy: -0.001
local terms energy: -70.053114
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -16.198
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: 2, replica: 3
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -213.776182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.776182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.776182 (E_RNA)
where:
Base-Base interactions energy: -143.033
where: short stacking energy: -68.103
Base-Backbone interact. energy: -0.534
local terms energy: -70.209368
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -19.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -204.967320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.967320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.967320 (E_RNA)
where:
Base-Base interactions energy: -140.735
where: short stacking energy: -54.582
Base-Backbone interact. energy: -0.152
local terms energy: -64.080535
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -12.202
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -14.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -204.594046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.594046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.594046 (E_RNA)
where:
Base-Base interactions energy: -141.979
where: short stacking energy: -71.204
Base-Backbone interact. energy: -0.281
local terms energy: -62.334258
where:
bonds (distance) C4'-P energy: -10.212
bonds (distance) P-C4' energy: -11.173
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -17.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -199.941827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.941827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.941827 (E_RNA)
where:
Base-Base interactions energy: -140.731
where: short stacking energy: -51.179
Base-Backbone interact. energy: -0.321
local terms energy: -58.889965
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -10.159
flat angles P-C4'-P energy: -9.412
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: 6, replica: 2
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -190.204422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.204422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.204422 (E_RNA)
where:
Base-Base interactions energy: -130.226
where: short stacking energy: -53.711
Base-Backbone interact. energy: -0.041
local terms energy: -59.937546
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -8.839
flat angles C4'-P-C4' energy: -10.987
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -17.251
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: 7, replica: 6
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -183.026140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.026140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.026140 (E_RNA)
where:
Base-Base interactions energy: -128.358
where: short stacking energy: -53.644
Base-Backbone interact. energy: -0.330
local terms energy: -54.338546
where:
bonds (distance) C4'-P energy: -10.235
bonds (distance) P-C4' energy: -12.051
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: -12.375
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: 10
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -94.880126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.880126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.880126 (E_RNA)
where:
Base-Base interactions energy: -35.835
where: short stacking energy: -27.592
Base-Backbone interact. energy: -1.719
local terms energy: -57.325302
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -10.378
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -10.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -68.161769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.161769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.161769 (E_RNA)
where:
Base-Base interactions energy: -21.161
where: short stacking energy: -19.338
Base-Backbone interact. energy: -1.768
local terms energy: -45.232141
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -9.880
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -3.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -68.098158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.098158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.098158 (E_RNA)
where:
Base-Base interactions energy: -21.808
where: short stacking energy: -20.990
Base-Backbone interact. energy: -0.070
local terms energy: -46.220002
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -6.784
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: -4.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -212.220902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.220902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.220902 (E_RNA)
where:
Base-Base interactions energy: -142.526
where: short stacking energy: -69.317
Base-Backbone interact. energy: -0.003
local terms energy: -69.691585
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -17.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -211.032866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.032866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.032866 (E_RNA)
where:
Base-Base interactions energy: -143.567
where: short stacking energy: -62.353
Base-Backbone interact. energy: -0.002
local terms energy: -67.463968
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -12.781
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -17.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -197.464188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.464188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.464188 (E_RNA)
where:
Base-Base interactions energy: -133.791
where: short stacking energy: -61.542
Base-Backbone interact. energy: -0.587
local terms energy: -63.086110
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -5.294
tors. eta vs tors. theta energy: -18.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -196.397358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.397358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.397358 (E_RNA)
where:
Base-Base interactions energy: -134.286
where: short stacking energy: -57.711
Base-Backbone interact. energy: -0.027
local terms energy: -62.084278
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -13.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -194.744530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.744530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.744530 (E_RNA)
where:
Base-Base interactions energy: -137.253
where: short stacking energy: -55.681
Base-Backbone interact. energy: -0.152
local terms energy: -57.339237
where:
bonds (distance) C4'-P energy: -8.352
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -11.510
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -16.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -197.387123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.387123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.387123 (E_RNA)
where:
Base-Base interactions energy: -134.034
where: short stacking energy: -56.077
Base-Backbone interact. energy: -0.006
local terms energy: -63.346982
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -15.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -197.872589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.872589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.872589 (E_RNA)
where:
Base-Base interactions energy: -144.573
where: short stacking energy: -61.828
Base-Backbone interact. energy: -0.556
local terms energy: -52.742775
where:
bonds (distance) C4'-P energy: -8.570
bonds (distance) P-C4' energy: -9.379
flat angles C4'-P-C4' energy: -11.126
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -16.151
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: 7
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -75.608401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.608401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.608401 (E_RNA)
where:
Base-Base interactions energy: -23.792
where: short stacking energy: -21.739
Base-Backbone interact. energy: -0.016
local terms energy: -51.800145
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -9.820
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -5.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -70.413941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.413941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.413941 (E_RNA)
where:
Base-Base interactions energy: -28.828
where: short stacking energy: -25.953
Base-Backbone interact. energy: -0.202
local terms energy: -41.383399
where:
bonds (distance) C4'-P energy: -7.082
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -2.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -69.079908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.079908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.079908 (E_RNA)
where:
Base-Base interactions energy: -26.283
where: short stacking energy: -24.238
Base-Backbone interact. energy: -0.186
local terms energy: -42.610662
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -6.639
flat angles P-C4'-P energy: -6.501
tors. eta vs tors. theta energy: -2.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -212.666351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.666351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.666351 (E_RNA)
where:
Base-Base interactions energy: -144.011
where: short stacking energy: -69.091
Base-Backbone interact. energy: -0.001
local terms energy: -68.654280
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -19.902
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: 2, replica: 4
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -204.806897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.806897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.806897 (E_RNA)
where:
Base-Base interactions energy: -141.516
where: short stacking energy: -66.541
Base-Backbone interact. energy: -1.491
local terms energy: -61.799389
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -17.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -207.526583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.526583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.526583 (E_RNA)
where:
Base-Base interactions energy: -147.002
where: short stacking energy: -70.828
Base-Backbone interact. energy: 0.763
local terms energy: -61.287504
where:
bonds (distance) C4'-P energy: -5.893
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -19.083
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: 1
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -194.449234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.449234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.449234 (E_RNA)
where:
Base-Base interactions energy: -136.256
where: short stacking energy: -64.537
Base-Backbone interact. energy: -0.003
local terms energy: -58.190589
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -10.254
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -12.907
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: 2
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -199.775841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.775841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.775841 (E_RNA)
where:
Base-Base interactions energy: -136.984
where: short stacking energy: -56.185
Base-Backbone interact. energy: -0.250
local terms energy: -62.541754
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -11.348
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -15.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -192.433391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.433391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.433391 (E_RNA)
where:
Base-Base interactions energy: -132.051
where: short stacking energy: -57.616
Base-Backbone interact. energy: -0.198
local terms energy: -60.184975
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -9.630
flat angles C4'-P-C4' energy: -10.896
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -16.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -199.416726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.416726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.416726 (E_RNA)
where:
Base-Base interactions energy: -134.995
where: short stacking energy: -55.512
Base-Backbone interact. energy: -0.240
local terms energy: -64.181762
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -15.969
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: 7
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -82.787530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.787530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.787530 (E_RNA)
where:
Base-Base interactions energy: -30.307
where: short stacking energy: -28.980
Base-Backbone interact. energy: 0.232
local terms energy: -52.712393
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -11.471
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -6.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -76.098226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.098226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.098226 (E_RNA)
where:
Base-Base interactions energy: -27.956
where: short stacking energy: -27.710
Base-Backbone interact. energy: -0.287
local terms energy: -47.855757
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -11.189
flat angles P-C4'-P energy: -3.777
tors. eta vs tors. theta energy: -5.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -66.335976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.335976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.335976 (E_RNA)
where:
Base-Base interactions energy: -28.302
where: short stacking energy: -23.977
Base-Backbone interact. energy: -0.066
local terms energy: -37.968334
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -10.346
flat angles C4'-P-C4' energy: -10.838
flat angles P-C4'-P energy: -3.836
tors. eta vs tors. theta energy: -0.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -217.316277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.316277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.316277 (E_RNA)
where:
Base-Base interactions energy: -145.992
where: short stacking energy: -69.432
Base-Backbone interact. energy: -1.762
local terms energy: -69.562626
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -12.094
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -11.608
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: 2, replica: 5
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -211.589079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.589079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.589079 (E_RNA)
where:
Base-Base interactions energy: -137.079
where: short stacking energy: -61.933
Base-Backbone interact. energy: -0.238
local terms energy: -74.271683
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -19.872
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: 4
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -205.833714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.833714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.833714 (E_RNA)
where:
Base-Base interactions energy: -140.333
where: short stacking energy: -64.120
Base-Backbone interact. energy: -0.049
local terms energy: -65.451685
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -17.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -200.866478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.866478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.866478 (E_RNA)
where:
Base-Base interactions energy: -137.356
where: short stacking energy: -60.809
Base-Backbone interact. energy: -0.937
local terms energy: -62.573413
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -9.448
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -17.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -190.141519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.141519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.141519 (E_RNA)
where:
Base-Base interactions energy: -126.972
where: short stacking energy: -55.102
Base-Backbone interact. energy: -0.022
local terms energy: -63.147041
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: -10.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -201.086631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.086631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.086631 (E_RNA)
where:
Base-Base interactions energy: -143.878
where: short stacking energy: -59.697
Base-Backbone interact. energy: -0.003
local terms energy: -57.206127
where:
bonds (distance) C4'-P energy: -8.940
bonds (distance) P-C4' energy: -10.717
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -12.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -181.550635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.550635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.550635 (E_RNA)
where:
Base-Base interactions energy: -122.420
where: short stacking energy: -53.208
Base-Backbone interact. energy: -0.917
local terms energy: -58.214240
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -13.583
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -6.525
tors. eta vs tors. theta energy: -13.288
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: 10
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -77.698626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.698626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.698626 (E_RNA)
where:
Base-Base interactions energy: -30.555
where: short stacking energy: -25.057
Base-Backbone interact. energy: -0.135
local terms energy: -47.008400
where:
bonds (distance) C4'-P energy: -10.468
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -10.653
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: -5.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -66.905848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.905848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.905848 (E_RNA)
where:
Base-Base interactions energy: -31.127
where: short stacking energy: -27.700
Base-Backbone interact. energy: -0.052
local terms energy: -35.726607
where:
bonds (distance) C4'-P energy: -9.507
bonds (distance) P-C4' energy: -11.458
flat angles C4'-P-C4' energy: -10.347
flat angles P-C4'-P energy: -1.708
tors. eta vs tors. theta energy: -2.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -71.836053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.836053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.836053 (E_RNA)
where:
Base-Base interactions energy: -24.151
where: short stacking energy: -24.151
Base-Backbone interact. energy: -0.075
local terms energy: -47.609701
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -6.039
tors. eta vs tors. theta energy: -1.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -208.694035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.694035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.694035 (E_RNA)
where:
Base-Base interactions energy: -139.812
where: short stacking energy: -68.015
Base-Backbone interact. energy: -0.003
local terms energy: -68.879157
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -15.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -201.178110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.178110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.178110 (E_RNA)
where:
Base-Base interactions energy: -136.279
where: short stacking energy: -58.804
Base-Backbone interact. energy: -0.100
local terms energy: -64.799535
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -10.937
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -15.714
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: 4
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -202.637110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.637110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.637110 (E_RNA)
where:
Base-Base interactions energy: -136.655
where: short stacking energy: -61.424
Base-Backbone interact. energy: -0.001
local terms energy: -65.980530
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -16.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -203.796806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.796806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.796806 (E_RNA)
where:
Base-Base interactions energy: -136.814
where: short stacking energy: -57.681
Base-Backbone interact. energy: 0.242
local terms energy: -67.224518
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -12.186
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -17.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -194.744240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.744240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.744240 (E_RNA)
where:
Base-Base interactions energy: -134.883
where: short stacking energy: -54.569
Base-Backbone interact. energy: -0.536
local terms energy: -59.325306
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -10.933
flat angles P-C4'-P energy: -4.604
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: 6, replica: 2
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -174.821395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.821395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.821395 (E_RNA)
where:
Base-Base interactions energy: -112.949
where: short stacking energy: -53.900
Base-Backbone interact. energy: -0.196
local terms energy: -61.676845
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -11.412
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -11.115
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: 9
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -181.880181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.880181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.880181 (E_RNA)
where:
Base-Base interactions energy: -132.495
where: short stacking energy: -61.670
Base-Backbone interact. energy: -0.244
local terms energy: -49.141005
where:
bonds (distance) C4'-P energy: -7.910
bonds (distance) P-C4' energy: -7.627
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -3.873
tors. eta vs tors. theta energy: -17.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -80.213890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.213890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.213890 (E_RNA)
where:
Base-Base interactions energy: -30.783
where: short stacking energy: -30.783
Base-Backbone interact. energy: -0.022
local terms energy: -49.408457
where:
bonds (distance) C4'-P energy: -10.201
bonds (distance) P-C4' energy: -13.382
flat angles C4'-P-C4' energy: -10.451
flat angles P-C4'-P energy: -4.990
tors. eta vs tors. theta energy: -10.384
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: 7
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -84.795090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.795090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.795090 (E_RNA)
where:
Base-Base interactions energy: -34.505
where: short stacking energy: -34.505
Base-Backbone interact. energy: -0.142
local terms energy: -50.148712
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: -7.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -81.089918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.089918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.089918 (E_RNA)
where:
Base-Base interactions energy: -25.088
where: short stacking energy: -25.088
Base-Backbone interact. energy: 0.825
local terms energy: -56.826799
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -9.972
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -10.065
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: 223
Temperature: 0.900000
Total energy: -211.729531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.729531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.729531 (E_RNA)
where:
Base-Base interactions energy: -146.965
where: short stacking energy: -72.397
Base-Backbone interact. energy: -0.043
local terms energy: -64.720584
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -6.651
tors. eta vs tors. theta energy: -19.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -207.615045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.615045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.615045 (E_RNA)
where:
Base-Base interactions energy: -137.275
where: short stacking energy: -66.360
Base-Backbone interact. energy: -0.000
local terms energy: -70.339327
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -12.031
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: 3, replica: 3
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -205.099811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.099811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.099811 (E_RNA)
where:
Base-Base interactions energy: -139.639
where: short stacking energy: -56.908
Base-Backbone interact. energy: -0.004
local terms energy: -65.456936
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -16.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -210.051112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.051112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.051112 (E_RNA)
where:
Base-Base interactions energy: -143.376
where: short stacking energy: -66.957
Base-Backbone interact. energy: -0.182
local terms energy: -66.493187
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -17.369
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: 6
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -202.254846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.254846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.254846 (E_RNA)
where:
Base-Base interactions energy: -135.891
where: short stacking energy: -64.022
Base-Backbone interact. energy: -0.513
local terms energy: -65.850607
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -20.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -198.155773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.155773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.155773 (E_RNA)
where:
Base-Base interactions energy: -132.461
where: short stacking energy: -61.891
Base-Backbone interact. energy: -0.300
local terms energy: -65.395211
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -5.651
tors. eta vs tors. theta energy: -18.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -204.303779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.303779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.303779 (E_RNA)
where:
Base-Base interactions energy: -138.194
where: short stacking energy: -63.809
Base-Backbone interact. energy: -0.366
local terms energy: -65.744103
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -12.829
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -19.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -75.321107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.321107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.321107 (E_RNA)
where:
Base-Base interactions energy: -29.580
where: short stacking energy: -27.839
Base-Backbone interact. energy: -0.061
local terms energy: -45.679858
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -8.356
flat angles P-C4'-P energy: -4.835
tors. eta vs tors. theta energy: -3.818
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: 7
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -83.802067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.802067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.802067 (E_RNA)
where:
Base-Base interactions energy: -42.688
where: short stacking energy: -13.646
Base-Backbone interact. energy: -0.126
local terms energy: -40.987234
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -4.714
tors. eta vs tors. theta energy: 1.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -63.826805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.826805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.826805 (E_RNA)
where:
Base-Base interactions energy: -23.687
where: short stacking energy: -23.993
Base-Backbone interact. energy: -0.272
local terms energy: -39.868501
where:
bonds (distance) C4'-P energy: -7.972
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: -0.290
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: 1, replica: 4
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -209.890147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.890147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.890147 (E_RNA)
where:
Base-Base interactions energy: -139.257
where: short stacking energy: -62.064
Base-Backbone interact. energy: -0.002
local terms energy: -70.630661
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -19.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -209.404234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.404234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.404234 (E_RNA)
where:
Base-Base interactions energy: -144.142
where: short stacking energy: -62.200
Base-Backbone interact. energy: -0.205
local terms energy: -65.056649
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -14.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -204.176458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.176458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.176458 (E_RNA)
where:
Base-Base interactions energy: -141.062
where: short stacking energy: -64.183
Base-Backbone interact. energy: -0.767
local terms energy: -62.347038
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -4.903
tors. eta vs tors. theta energy: -18.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -203.087786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.087786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.087786 (E_RNA)
where:
Base-Base interactions energy: -140.939
where: short stacking energy: -52.034
Base-Backbone interact. energy: -0.429
local terms energy: -61.718856
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -10.759
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -13.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -198.317955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.317955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.317955 (E_RNA)
where:
Base-Base interactions energy: -133.091
where: short stacking energy: -61.940
Base-Backbone interact. energy: 0.564
local terms energy: -65.790942
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -11.695
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -17.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -189.977440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.977440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.977440 (E_RNA)
where:
Base-Base interactions energy: -128.514
where: short stacking energy: -52.841
Base-Backbone interact. energy: -0.124
local terms energy: -61.339671
where:
bonds (distance) C4'-P energy: -9.249
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -13.699
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: 224
Temperature: 1.200000
Total energy: -191.374932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.374932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.374932 (E_RNA)
where:
Base-Base interactions energy: -130.646
where: short stacking energy: -62.103
Base-Backbone interact. energy: -0.000
local terms energy: -60.729305
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -9.502
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -17.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -87.578651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.578651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.578651 (E_RNA)
where:
Base-Base interactions energy: -37.666
where: short stacking energy: -37.240
Base-Backbone interact. energy: -0.002
local terms energy: -49.910941
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -10.533
flat angles P-C4'-P energy: -6.116
tors. eta vs tors. theta energy: -9.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -87.519627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.519627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.519627 (E_RNA)
where:
Base-Base interactions energy: -52.803
where: short stacking energy: -29.423
Base-Backbone interact. energy: -0.293
local terms energy: -34.423388
where:
bonds (distance) C4'-P energy: -7.130
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -3.865
flat angles P-C4'-P energy: -3.301
tors. eta vs tors. theta energy: -4.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -81.843960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.843960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.843960 (E_RNA)
where:
Base-Base interactions energy: -36.753
where: short stacking energy: -25.375
Base-Backbone interact. energy: -0.036
local terms energy: -45.055150
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -13.498
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -2.189
tors. eta vs tors. theta energy: -4.220
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: 1, replica: 4
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -216.252622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.252622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.252622 (E_RNA)
where:
Base-Base interactions energy: -145.205
where: short stacking energy: -70.825
Base-Backbone interact. energy: -0.938
local terms energy: -70.110063
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -18.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -205.244272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.244272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.244272 (E_RNA)
where:
Base-Base interactions energy: -138.829
where: short stacking energy: -67.703
Base-Backbone interact. energy: -0.008
local terms energy: -66.407079
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -15.733
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: 5
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -204.560464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.560464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.560464 (E_RNA)
where:
Base-Base interactions energy: -145.035
where: short stacking energy: -57.665
Base-Backbone interact. energy: -0.172
local terms energy: -59.352547
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -14.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -195.643409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.643409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.643409 (E_RNA)
where:
Base-Base interactions energy: -132.895
where: short stacking energy: -59.337
Base-Backbone interact. energy: -0.008
local terms energy: -62.740723
where:
bonds (distance) C4'-P energy: -9.238
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -6.056
tors. eta vs tors. theta energy: -19.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -207.128172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.128172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.128172 (E_RNA)
where:
Base-Base interactions energy: -137.278
where: short stacking energy: -65.969
Base-Backbone interact. energy: -1.200
local terms energy: -68.650596
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -19.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -194.117814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.117814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.117814 (E_RNA)
where:
Base-Base interactions energy: -128.644
where: short stacking energy: -60.335
Base-Backbone interact. energy: -0.031
local terms energy: -65.442087
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -15.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -198.250295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.250295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.250295 (E_RNA)
where:
Base-Base interactions energy: -132.997
where: short stacking energy: -58.263
Base-Backbone interact. energy: -1.739
local terms energy: -63.514056
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -8.285
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -19.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -84.088272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.088272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.088272 (E_RNA)
where:
Base-Base interactions energy: -37.785
where: short stacking energy: -37.785
Base-Backbone interact. energy: 1.437
local terms energy: -47.740386
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -10.057
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -5.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -74.423277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.423277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.423277 (E_RNA)
where:
Base-Base interactions energy: -30.517
where: short stacking energy: -17.084
Base-Backbone interact. energy: -0.188
local terms energy: -43.719081
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -9.367
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: -1.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -72.894272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.894272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.894272 (E_RNA)
where:
Base-Base interactions energy: -29.085
where: short stacking energy: -25.188
Base-Backbone interact. energy: -0.703
local terms energy: -43.106802
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -0.930
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: 1, replica: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -215.733336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.733336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.733336 (E_RNA)
where:
Base-Base interactions energy: -149.377
where: short stacking energy: -61.902
Base-Backbone interact. energy: -0.106
local terms energy: -66.250184
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -16.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -204.806657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.806657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.806657 (E_RNA)
where:
Base-Base interactions energy: -139.415
where: short stacking energy: -59.829
Base-Backbone interact. energy: -0.284
local terms energy: -65.107245
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -11.670
flat angles C4'-P-C4' energy: -9.155
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -18.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -203.002997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.002997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.002997 (E_RNA)
where:
Base-Base interactions energy: -138.054
where: short stacking energy: -63.613
Base-Backbone interact. energy: -0.420
local terms energy: -64.528637
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -11.803
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -16.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -206.280013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.280013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.280013 (E_RNA)
where:
Base-Base interactions energy: -139.459
where: short stacking energy: -68.539
Base-Backbone interact. energy: -0.000
local terms energy: -66.820164
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -13.104
tors. eta vs tors. theta energy: -16.693
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: 3
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -191.621748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.621748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.621748 (E_RNA)
where:
Base-Base interactions energy: -124.046
where: short stacking energy: -59.989
Base-Backbone interact. energy: -0.216
local terms energy: -67.359135
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -16.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -201.174565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.174565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.174565 (E_RNA)
where:
Base-Base interactions energy: -130.725
where: short stacking energy: -55.957
Base-Backbone interact. energy: -0.223
local terms energy: -70.226779
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -18.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -183.243173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.243173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.243173 (E_RNA)
where:
Base-Base interactions energy: -125.854
where: short stacking energy: -56.585
Base-Backbone interact. energy: -0.120
local terms energy: -57.269408
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -11.358
flat angles C4'-P-C4' energy: -7.728
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -15.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -75.174954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.174954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.174954 (E_RNA)
where:
Base-Base interactions energy: -25.340
where: short stacking energy: -25.340
Base-Backbone interact. energy: 0.784
local terms energy: -50.619188
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -6.520
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -3.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -77.034285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.034285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.034285 (E_RNA)
where:
Base-Base interactions energy: -40.092
where: short stacking energy: -23.390
Base-Backbone interact. energy: -0.117
local terms energy: -36.825777
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -8.222
flat angles P-C4'-P energy: -5.196
tors. eta vs tors. theta energy: 3.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -72.317469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.317469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.317469 (E_RNA)
where:
Base-Base interactions energy: -32.149
where: short stacking energy: -32.149
Base-Backbone interact. energy: 0.173
local terms energy: -40.341543
where:
bonds (distance) C4'-P energy: -9.771
bonds (distance) P-C4' energy: -8.333
flat angles C4'-P-C4' energy: -6.944
flat angles P-C4'-P energy: -6.361
tors. eta vs tors. theta energy: -8.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -211.158903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.158903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.158903 (E_RNA)
where:
Base-Base interactions energy: -140.256
where: short stacking energy: -64.541
Base-Backbone interact. energy: -0.001
local terms energy: -70.901863
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -16.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -210.309835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.309835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.309835 (E_RNA)
where:
Base-Base interactions energy: -146.515
where: short stacking energy: -59.395
Base-Backbone interact. energy: 0.353
local terms energy: -64.147683
where:
bonds (distance) C4'-P energy: -11.272
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -11.887
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: 3, replica: 9
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -207.898461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.898461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.898461 (E_RNA)
where:
Base-Base interactions energy: -136.876
where: short stacking energy: -63.050
Base-Backbone interact. energy: -0.002
local terms energy: -71.020625
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -20.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -211.344655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.344655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.344655 (E_RNA)
where:
Base-Base interactions energy: -144.314
where: short stacking energy: -59.664
Base-Backbone interact. energy: -0.242
local terms energy: -66.788890
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -15.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -201.476014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.476014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.476014 (E_RNA)
where:
Base-Base interactions energy: -138.235
where: short stacking energy: -52.520
Base-Backbone interact. energy: -0.348
local terms energy: -62.893267
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -13.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -193.093342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.093342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.093342 (E_RNA)
where:
Base-Base interactions energy: -141.632
where: short stacking energy: -59.593
Base-Backbone interact. energy: -0.576
local terms energy: -50.885297
where:
bonds (distance) C4'-P energy: -8.448
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -10.659
flat angles P-C4'-P energy: -5.587
tors. eta vs tors. theta energy: -14.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -193.121972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.121972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.121972 (E_RNA)
where:
Base-Base interactions energy: -132.857
where: short stacking energy: -59.520
Base-Backbone interact. energy: 0.233
local terms energy: -60.497332
where:
bonds (distance) C4'-P energy: -11.162
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -13.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -83.187332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.187332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.187332 (E_RNA)
where:
Base-Base interactions energy: -35.439
where: short stacking energy: -16.691
Base-Backbone interact. energy: -0.416
local terms energy: -47.332318
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -5.223
tors. eta vs tors. theta energy: -0.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -74.102393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.102393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.102393 (E_RNA)
where:
Base-Base interactions energy: -26.774
where: short stacking energy: -26.774
Base-Backbone interact. energy: -0.000
local terms energy: -47.327923
where:
bonds (distance) C4'-P energy: -8.166
bonds (distance) P-C4' energy: -10.639
flat angles C4'-P-C4' energy: -12.447
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -7.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -79.678790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.678790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.678790 (E_RNA)
where:
Base-Base interactions energy: -31.478
where: short stacking energy: -31.432
Base-Backbone interact. energy: -0.060
local terms energy: -48.141084
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -5.899
tors. eta vs tors. theta energy: -4.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -214.003143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.003143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.003143 (E_RNA)
where:
Base-Base interactions energy: -140.685
where: short stacking energy: -68.289
Base-Backbone interact. energy: -2.024
local terms energy: -71.294164
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -19.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -209.532424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.532424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.532424 (E_RNA)
where:
Base-Base interactions energy: -143.643
where: short stacking energy: -66.179
Base-Backbone interact. energy: -0.098
local terms energy: -65.790966
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -16.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -202.443439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.443439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.443439 (E_RNA)
where:
Base-Base interactions energy: -140.601
where: short stacking energy: -60.482
Base-Backbone interact. energy: 0.428
local terms energy: -62.271002
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -15.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -206.132161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.132161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.132161 (E_RNA)
where:
Base-Base interactions energy: -141.084
where: short stacking energy: -61.677
Base-Backbone interact. energy: -0.003
local terms energy: -65.045109
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -10.808
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: -14.816
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: 3
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -198.553224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.553224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.553224 (E_RNA)
where:
Base-Base interactions energy: -136.877
where: short stacking energy: -63.038
Base-Backbone interact. energy: -0.003
local terms energy: -61.672526
where:
bonds (distance) C4'-P energy: -9.577
bonds (distance) P-C4' energy: -11.145
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -16.125
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: 2
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -196.137274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.137274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.137274 (E_RNA)
where:
Base-Base interactions energy: -132.744
where: short stacking energy: -51.343
Base-Backbone interact. energy: -0.089
local terms energy: -63.304294
where:
bonds (distance) C4'-P energy: -11.142
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -13.820
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: 7, replica: 7
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -79.801981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.801981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.801981 (E_RNA)
where:
Base-Base interactions energy: -29.842
where: short stacking energy: -25.111
Base-Backbone interact. energy: -0.204
local terms energy: -49.755212
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -10.112
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -6.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -172.712836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.712836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.712836 (E_RNA)
where:
Base-Base interactions energy: -117.972
where: short stacking energy: -57.208
Base-Backbone interact. energy: -0.000
local terms energy: -54.741058
where:
bonds (distance) C4'-P energy: -9.118
bonds (distance) P-C4' energy: -10.007
flat angles C4'-P-C4' energy: -10.823
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -16.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -104.368502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.368502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.368502 (E_RNA)
where:
Base-Base interactions energy: -64.701
where: short stacking energy: -34.047
Base-Backbone interact. energy: -0.331
local terms energy: -39.336627
where:
bonds (distance) C4'-P energy: -6.815
bonds (distance) P-C4' energy: -7.647
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -2.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -69.991072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.991072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.991072 (E_RNA)
where:
Base-Base interactions energy: -36.915
where: short stacking energy: -17.345
Base-Backbone interact. energy: -0.225
local terms energy: -32.850379
where:
bonds (distance) C4'-P energy: -7.485
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -3.393
tors. eta vs tors. theta energy: 4.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -212.722616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.722616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.722616 (E_RNA)
where:
Base-Base interactions energy: -143.171
where: short stacking energy: -63.062
Base-Backbone interact. energy: -0.332
local terms energy: -69.219211
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -16.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -204.358235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.358235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.358235 (E_RNA)
where:
Base-Base interactions energy: -140.950
where: short stacking energy: -64.312
Base-Backbone interact. energy: -0.010
local terms energy: -63.398235
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -16.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -203.191830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.191830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.191830 (E_RNA)
where:
Base-Base interactions energy: -140.714
where: short stacking energy: -69.201
Base-Backbone interact. energy: -0.004
local terms energy: -62.473968
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -10.060
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -16.117
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: 3
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -209.065208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.065208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.065208 (E_RNA)
where:
Base-Base interactions energy: -146.282
where: short stacking energy: -62.078
Base-Backbone interact. energy: 0.418
local terms energy: -63.201089
where:
bonds (distance) C4'-P energy: -9.793
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -17.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -197.145179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.145179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.145179 (E_RNA)
where:
Base-Base interactions energy: -136.794
where: short stacking energy: -51.305
Base-Backbone interact. energy: -0.091
local terms energy: -60.261148
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -11.143
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -13.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -202.385374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.385374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.385374 (E_RNA)
where:
Base-Base interactions energy: -140.957
where: short stacking energy: -63.864
Base-Backbone interact. energy: -0.177
local terms energy: -61.251405
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -9.002
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -17.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -124.399417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.399417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.399417 (E_RNA)
where:
Base-Base interactions energy: -73.734
where: short stacking energy: -26.760
Base-Backbone interact. energy: -0.161
local terms energy: -50.505041
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -11.290
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -3.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -181.354486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.354486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.354486 (E_RNA)
where:
Base-Base interactions energy: -123.166
where: short stacking energy: -50.337
Base-Backbone interact. energy: -0.100
local terms energy: -58.088430
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -12.397
flat angles C4'-P-C4' energy: -8.821
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -15.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -98.578777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.578777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.578777 (E_RNA)
where:
Base-Base interactions energy: -51.736
where: short stacking energy: -26.393
Base-Backbone interact. energy: -0.137
local terms energy: -46.705840
where:
bonds (distance) C4'-P energy: -11.135
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -9.488
flat angles P-C4'-P energy: -3.442
tors. eta vs tors. theta energy: -7.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -74.318698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.318698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.318698 (E_RNA)
where:
Base-Base interactions energy: -33.337
where: short stacking energy: -21.677
Base-Backbone interact. energy: -0.240
local terms energy: -40.741641
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -10.043
flat angles C4'-P-C4' energy: -7.330
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -1.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -213.309316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.309316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.309316 (E_RNA)
where:
Base-Base interactions energy: -145.698
where: short stacking energy: -69.377
Base-Backbone interact. energy: -0.403
local terms energy: -67.208107
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -17.777
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: 4
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -208.114053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.114053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.114053 (E_RNA)
where:
Base-Base interactions energy: -143.624
where: short stacking energy: -69.822
Base-Backbone interact. energy: -0.002
local terms energy: -64.487299
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -12.618
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -7.704
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: 3, replica: 1
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -204.107331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.107331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.107331 (E_RNA)
where:
Base-Base interactions energy: -136.712
where: short stacking energy: -65.674
Base-Backbone interact. energy: -0.000
local terms energy: -67.395025
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -15.546
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: 3
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -202.781733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.781733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.781733 (E_RNA)
where:
Base-Base interactions energy: -136.856
where: short stacking energy: -64.940
Base-Backbone interact. energy: -0.071
local terms energy: -65.854312
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -11.841
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -19.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -202.476198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.476198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.476198 (E_RNA)
where:
Base-Base interactions energy: -136.852
where: short stacking energy: -58.596
Base-Backbone interact. energy: -0.299
local terms energy: -65.325063
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -18.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -193.276600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.276600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.276600 (E_RNA)
where:
Base-Base interactions energy: -129.993
where: short stacking energy: -56.827
Base-Backbone interact. energy: -0.061
local terms energy: -63.222737
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -15.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -175.264064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.264064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.264064 (E_RNA)
where:
Base-Base interactions energy: -125.458
where: short stacking energy: -49.044
Base-Backbone interact. energy: 3.827
local terms energy: -53.633490
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -12.280
flat angles C4'-P-C4' energy: -9.780
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -7.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -90.730460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.730460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.730460 (E_RNA)
where:
Base-Base interactions energy: -50.760
where: short stacking energy: -17.642
Base-Backbone interact. energy: -0.080
local terms energy: -39.890314
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -12.161
flat angles C4'-P-C4' energy: -9.548
flat angles P-C4'-P energy: -3.122
tors. eta vs tors. theta energy: -1.541
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: 230
Temperature: 1.300000
Total energy: -66.873052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.873052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.873052 (E_RNA)
where:
Base-Base interactions energy: -24.827
where: short stacking energy: -24.827
Base-Backbone interact. energy: -0.120
local terms energy: -41.925816
where:
bonds (distance) C4'-P energy: -8.924
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -8.003
flat angles P-C4'-P energy: -6.056
tors. eta vs tors. theta energy: -4.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -75.030161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.030161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.030161 (E_RNA)
where:
Base-Base interactions energy: -29.877
where: short stacking energy: -29.877
Base-Backbone interact. energy: 0.825
local terms energy: -45.977916
where:
bonds (distance) C4'-P energy: -10.979
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -4.785
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -6.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -215.304206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.304206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.304206 (E_RNA)
where:
Base-Base interactions energy: -142.883
where: short stacking energy: -58.478
Base-Backbone interact. energy: -0.042
local terms energy: -72.378754
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -16.643
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: 2, replica: 1
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -207.820188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.820188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.820188 (E_RNA)
where:
Base-Base interactions energy: -139.149
where: short stacking energy: -58.258
Base-Backbone interact. energy: -0.604
local terms energy: -68.067792
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -15.059
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: 4
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -206.152391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.152391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.152391 (E_RNA)
where:
Base-Base interactions energy: -138.364
where: short stacking energy: -58.664
Base-Backbone interact. energy: -0.032
local terms energy: -67.756353
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -13.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -202.958647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.958647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.958647 (E_RNA)
where:
Base-Base interactions energy: -131.071
where: short stacking energy: -64.260
Base-Backbone interact. energy: -0.561
local terms energy: -71.326577
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -19.338
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: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -201.634174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.634174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.634174 (E_RNA)
where:
Base-Base interactions energy: -130.411
where: short stacking energy: -61.890
Base-Backbone interact. energy: -0.024
local terms energy: -71.198577
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -17.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -186.825456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.825456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.825456 (E_RNA)
where:
Base-Base interactions energy: -131.032
where: short stacking energy: -52.094
Base-Backbone interact. energy: -0.058
local terms energy: -55.735601
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -10.214
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -5.424
tors. eta vs tors. theta energy: -14.324
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: 6
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -186.570915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.570915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.570915 (E_RNA)
where:
Base-Base interactions energy: -123.725
where: short stacking energy: -55.043
Base-Backbone interact. energy: -0.550
local terms energy: -62.295433
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -10.698
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -12.095
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: 8, replica: 8
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -77.078439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.078439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.078439 (E_RNA)
where:
Base-Base interactions energy: -29.253
where: short stacking energy: -29.253
Base-Backbone interact. energy: -0.036
local terms energy: -47.789026
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -11.590
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -7.421
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: 7
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -75.116708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.116708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.116708 (E_RNA)
where:
Base-Base interactions energy: -23.539
where: short stacking energy: -23.539
Base-Backbone interact. energy: -0.231
local terms energy: -51.346630
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -10.357
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -4.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -69.030908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.030908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.030908 (E_RNA)
where:
Base-Base interactions energy: -33.671
where: short stacking energy: -26.009
Base-Backbone interact. energy: -0.247
local terms energy: -35.113027
where:
bonds (distance) C4'-P energy: -8.513
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -10.124
flat angles P-C4'-P energy: -5.432
tors. eta vs tors. theta energy: 1.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -215.225926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.225926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.225926 (E_RNA)
where:
Base-Base interactions energy: -142.682
where: short stacking energy: -68.554
Base-Backbone interact. energy: -0.958
local terms energy: -71.586214
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -12.259
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -20.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -213.338235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.338235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.338235 (E_RNA)
where:
Base-Base interactions energy: -144.963
where: short stacking energy: -64.464
Base-Backbone interact. energy: -0.009
local terms energy: -68.366148
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -18.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -205.213423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.213423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.213423 (E_RNA)
where:
Base-Base interactions energy: -140.724
where: short stacking energy: -65.955
Base-Backbone interact. energy: -0.335
local terms energy: -64.153821
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -10.473
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: 4, replica: 4
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -204.627998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.627998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.627998 (E_RNA)
where:
Base-Base interactions energy: -143.446
where: short stacking energy: -55.448
Base-Backbone interact. energy: -0.016
local terms energy: -61.166394
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -12.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -195.958671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.958671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.958671 (E_RNA)
where:
Base-Base interactions energy: -141.185
where: short stacking energy: -61.619
Base-Backbone interact. energy: -0.162
local terms energy: -54.611636
where:
bonds (distance) C4'-P energy: -9.069
bonds (distance) P-C4' energy: -7.569
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -16.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -191.053903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.053903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.053903 (E_RNA)
where:
Base-Base interactions energy: -131.766
where: short stacking energy: -59.487
Base-Backbone interact. energy: -0.043
local terms energy: -59.244302
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -8.168
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -16.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -184.791170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.791170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.791170 (E_RNA)
where:
Base-Base interactions energy: -123.922
where: short stacking energy: -54.683
Base-Backbone interact. energy: -0.064
local terms energy: -60.805106
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -13.033
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -14.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -78.221521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.221521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.221521 (E_RNA)
where:
Base-Base interactions energy: -34.849
where: short stacking energy: -30.601
Base-Backbone interact. energy: -0.136
local terms energy: -43.236885
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -10.499
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -1.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -89.578452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.578452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.578452 (E_RNA)
where:
Base-Base interactions energy: -42.177
where: short stacking energy: -33.629
Base-Backbone interact. energy: -0.038
local terms energy: -47.364277
where:
bonds (distance) C4'-P energy: -8.580
bonds (distance) P-C4' energy: -12.766
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -4.880
tors. eta vs tors. theta energy: -9.089
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: 7
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -70.764694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.764694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.764694 (E_RNA)
where:
Base-Base interactions energy: -27.299
where: short stacking energy: -25.466
Base-Backbone interact. energy: 0.116
local terms energy: -43.581202
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -4.239
tors. eta vs tors. theta energy: -2.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -207.626949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.626949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.626949 (E_RNA)
where:
Base-Base interactions energy: -143.578
where: short stacking energy: -67.919
Base-Backbone interact. energy: -0.003
local terms energy: -64.046500
where:
bonds (distance) C4'-P energy: -8.016
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -17.770
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: 2, replica: 2
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -207.658394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.658394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.658394 (E_RNA)
where:
Base-Base interactions energy: -139.501
where: short stacking energy: -65.856
Base-Backbone interact. energy: -0.692
local terms energy: -67.465229
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -19.256
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: 5
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -210.910053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.910053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.910053 (E_RNA)
where:
Base-Base interactions energy: -141.079
where: short stacking energy: -67.156
Base-Backbone interact. energy: -0.000
local terms energy: -69.831149
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -17.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -203.916039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.916039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.916039 (E_RNA)
where:
Base-Base interactions energy: -135.162
where: short stacking energy: -64.256
Base-Backbone interact. energy: -0.064
local terms energy: -68.689550
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -11.845
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -15.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -198.662813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.662813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.662813 (E_RNA)
where:
Base-Base interactions energy: -134.216
where: short stacking energy: -62.893
Base-Backbone interact. energy: -0.099
local terms energy: -64.348469
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -15.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -191.495340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.495340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.495340 (E_RNA)
where:
Base-Base interactions energy: -135.757
where: short stacking energy: -53.649
Base-Backbone interact. energy: 0.294
local terms energy: -56.031843
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -9.704
flat angles C4'-P-C4' energy: -6.724
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -18.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -189.853313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.853313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.853313 (E_RNA)
where:
Base-Base interactions energy: -124.462
where: short stacking energy: -50.744
Base-Backbone interact. energy: -0.034
local terms energy: -65.357013
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -17.209
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: 10
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -77.942939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.942939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.942939 (E_RNA)
where:
Base-Base interactions energy: -32.761
where: short stacking energy: -32.114
Base-Backbone interact. energy: -0.083
local terms energy: -45.098710
where:
bonds (distance) C4'-P energy: -9.777
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -3.731
tors. eta vs tors. theta energy: -4.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -71.748810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.748810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.748810 (E_RNA)
where:
Base-Base interactions energy: -33.078
where: short stacking energy: -23.266
Base-Backbone interact. energy: -0.383
local terms energy: -38.287581
where:
bonds (distance) C4'-P energy: -5.950
bonds (distance) P-C4' energy: -11.527
flat angles C4'-P-C4' energy: -12.411
flat angles P-C4'-P energy: -6.436
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: 7
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -92.147562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.147562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.147562 (E_RNA)
where:
Base-Base interactions energy: -45.479
where: short stacking energy: -29.970
Base-Backbone interact. energy: -0.108
local terms energy: -46.560458
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -10.545
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -4.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -211.508277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.508277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.508277 (E_RNA)
where:
Base-Base interactions energy: -143.310
where: short stacking energy: -65.665
Base-Backbone interact. energy: -0.033
local terms energy: -68.165220
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -18.535
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: 2, replica: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -210.117171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.117171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.117171 (E_RNA)
where:
Base-Base interactions energy: -144.592
where: short stacking energy: -63.467
Base-Backbone interact. energy: -0.239
local terms energy: -65.286086
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -10.531
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -16.480
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: 3, replica: 4
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -212.415325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.415325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.415325 (E_RNA)
where:
Base-Base interactions energy: -142.998
where: short stacking energy: -62.384
Base-Backbone interact. energy: -0.191
local terms energy: -69.226673
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -15.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -197.479546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.479546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.479546 (E_RNA)
where:
Base-Base interactions energy: -135.485
where: short stacking energy: -64.457
Base-Backbone interact. energy: -0.032
local terms energy: -61.963040
where:
bonds (distance) C4'-P energy: -10.764
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -16.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -208.096054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.096054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.096054 (E_RNA)
where:
Base-Base interactions energy: -139.789
where: short stacking energy: -63.911
Base-Backbone interact. energy: -0.141
local terms energy: -68.166181
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -19.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -191.910932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.910932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.910932 (E_RNA)
where:
Base-Base interactions energy: -132.135
where: short stacking energy: -57.710
Base-Backbone interact. energy: -0.016
local terms energy: -59.760115
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -11.109
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -15.953
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: 9
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -195.128822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.128822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.128822 (E_RNA)
where:
Base-Base interactions energy: -134.352
where: short stacking energy: -60.027
Base-Backbone interact. energy: -0.468
local terms energy: -60.309163
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -5.772
tors. eta vs tors. theta energy: -17.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -76.970825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.970825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.970825 (E_RNA)
where:
Base-Base interactions energy: -39.657
where: short stacking energy: -36.122
Base-Backbone interact. energy: -0.222
local terms energy: -37.092323
where:
bonds (distance) C4'-P energy: -8.732
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: -0.560
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: 9, replica: 7
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -74.612001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.612001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.612001 (E_RNA)
where:
Base-Base interactions energy: -26.670
where: short stacking energy: -22.803
Base-Backbone interact. energy: -0.923
local terms energy: -47.018070
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -10.991
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -0.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -69.467139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.467139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.467139 (E_RNA)
where:
Base-Base interactions energy: -29.341
where: short stacking energy: -29.341
Base-Backbone interact. energy: -0.211
local terms energy: -39.914271
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -12.340
flat angles C4'-P-C4' energy: -4.773
flat angles P-C4'-P energy: -7.212
tors. eta vs tors. theta energy: -2.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -211.970776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.970776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.970776 (E_RNA)
where:
Base-Base interactions energy: -142.139
where: short stacking energy: -67.179
Base-Backbone interact. energy: -0.238
local terms energy: -69.593422
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -19.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -207.301588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.301588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.301588 (E_RNA)
where:
Base-Base interactions energy: -135.919
where: short stacking energy: -67.372
Base-Backbone interact. energy: -0.686
local terms energy: -70.696039
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -17.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -207.279750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.279750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.279750 (E_RNA)
where:
Base-Base interactions energy: -140.790
where: short stacking energy: -60.922
Base-Backbone interact. energy: -0.016
local terms energy: -66.474085
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -12.587
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -14.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -202.722065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.722065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.722065 (E_RNA)
where:
Base-Base interactions energy: -146.961
where: short stacking energy: -61.733
Base-Backbone interact. energy: -0.135
local terms energy: -55.625723
where:
bonds (distance) C4'-P energy: -8.517
bonds (distance) P-C4' energy: -10.315
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -5.128
tors. eta vs tors. theta energy: -17.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -196.010645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.010645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.010645 (E_RNA)
where:
Base-Base interactions energy: -130.825
where: short stacking energy: -63.812
Base-Backbone interact. energy: -0.263
local terms energy: -64.922864
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -6.829
tors. eta vs tors. theta energy: -19.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -202.748772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.748772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.748772 (E_RNA)
where:
Base-Base interactions energy: -139.452
where: short stacking energy: -51.412
Base-Backbone interact. energy: -0.014
local terms energy: -63.282575
where:
bonds (distance) C4'-P energy: -11.444
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -14.316
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: 3
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -182.067677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.067677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.067677 (E_RNA)
where:
Base-Base interactions energy: -126.414
where: short stacking energy: -57.592
Base-Backbone interact. energy: -0.008
local terms energy: -55.645350
where:
bonds (distance) C4'-P energy: -8.340
bonds (distance) P-C4' energy: -10.283
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -16.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -77.643612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.643612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.643612 (E_RNA)
where:
Base-Base interactions energy: -28.274
where: short stacking energy: -28.274
Base-Backbone interact. energy: -0.136
local terms energy: -49.233397
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -8.674
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: 9, replica: 7
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -70.957469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.957469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.957469 (E_RNA)
where:
Base-Base interactions energy: -29.589
where: short stacking energy: -26.274
Base-Backbone interact. energy: 0.126
local terms energy: -41.494653
where:
bonds (distance) C4'-P energy: -9.230
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -9.107
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -3.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -65.845993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.845993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.845993 (E_RNA)
where:
Base-Base interactions energy: -21.602
where: short stacking energy: -20.627
Base-Backbone interact. energy: 2.051
local terms energy: -46.294868
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -11.840
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -8.255
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: 4
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -218.147751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.147751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.147751 (E_RNA)
where:
Base-Base interactions energy: -141.102
where: short stacking energy: -64.744
Base-Backbone interact. energy: 0.281
local terms energy: -77.327179
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -19.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -208.326664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.326664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.326664 (E_RNA)
where:
Base-Base interactions energy: -140.149
where: short stacking energy: -63.142
Base-Backbone interact. energy: -0.588
local terms energy: -67.590196
where:
bonds (distance) C4'-P energy: -12.077
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -16.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -211.139873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.139873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.139873 (E_RNA)
where:
Base-Base interactions energy: -142.734
where: short stacking energy: -68.979
Base-Backbone interact. energy: -0.867
local terms energy: -67.538664
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -18.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -197.711800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.711800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.711800 (E_RNA)
where:
Base-Base interactions energy: -136.322
where: short stacking energy: -61.734
Base-Backbone interact. energy: -0.004
local terms energy: -61.386008
where:
bonds (distance) C4'-P energy: -10.199
bonds (distance) P-C4' energy: -12.307
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -17.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -193.581583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.581583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.581583 (E_RNA)
where:
Base-Base interactions energy: -128.243
where: short stacking energy: -54.942
Base-Backbone interact. energy: -0.003
local terms energy: -65.335713
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -14.756
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: 9
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -190.095338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.095338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.095338 (E_RNA)
where:
Base-Base interactions energy: -137.382
where: short stacking energy: -58.152
Base-Backbone interact. energy: -0.047
local terms energy: -52.666929
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -12.028
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -3.496
tors. eta vs tors. theta energy: -13.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -165.712584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.712584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.712584 (E_RNA)
where:
Base-Base interactions energy: -102.983
where: short stacking energy: -46.968
Base-Backbone interact. energy: -0.036
local terms energy: -62.693569
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -13.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -82.053088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.053088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.053088 (E_RNA)
where:
Base-Base interactions energy: -31.242
where: short stacking energy: -29.769
Base-Backbone interact. energy: -0.080
local terms energy: -50.730885
where:
bonds (distance) C4'-P energy: -10.692
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -6.384
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -9.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -76.635953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.635953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.635953 (E_RNA)
where:
Base-Base interactions energy: -29.956
where: short stacking energy: -29.956
Base-Backbone interact. energy: -0.081
local terms energy: -46.598927
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -9.482
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -3.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -71.320266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.320266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.320266 (E_RNA)
where:
Base-Base interactions energy: -26.169
where: short stacking energy: -17.704
Base-Backbone interact. energy: -0.185
local terms energy: -44.966863
where:
bonds (distance) C4'-P energy: -9.717
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -11.378
flat angles P-C4'-P energy: -9.380
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: 1, replica: 4
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -209.185081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.185081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.185081 (E_RNA)
where:
Base-Base interactions energy: -143.652
where: short stacking energy: -63.892
Base-Backbone interact. energy: -2.050
local terms energy: -63.483204
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -10.557
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -16.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -208.665242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.665242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.665242 (E_RNA)
where:
Base-Base interactions energy: -135.637
where: short stacking energy: -67.185
Base-Backbone interact. energy: -0.239
local terms energy: -72.788893
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -18.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -205.953616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.953616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.953616 (E_RNA)
where:
Base-Base interactions energy: -133.949
where: short stacking energy: -67.472
Base-Backbone interact. energy: -0.003
local terms energy: -72.001273
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -10.911
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: 4, replica: 1
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -199.448593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.448593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.448593 (E_RNA)
where:
Base-Base interactions energy: -134.646
where: short stacking energy: -57.658
Base-Backbone interact. energy: -0.000
local terms energy: -64.802756
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -7.934
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: 5, replica: 6
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -194.214789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.214789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.214789 (E_RNA)
where:
Base-Base interactions energy: -129.912
where: short stacking energy: -60.215
Base-Backbone interact. energy: -0.001
local terms energy: -64.301317
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -17.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -193.585210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.585210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.585210 (E_RNA)
where:
Base-Base interactions energy: -127.571
where: short stacking energy: -61.554
Base-Backbone interact. energy: -0.216
local terms energy: -65.797412
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -11.607
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -18.441
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: 237
Temperature: 1.200000
Total energy: -186.902209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.902209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.902209 (E_RNA)
where:
Base-Base interactions energy: -127.655
where: short stacking energy: -58.744
Base-Backbone interact. energy: -0.013
local terms energy: -59.234592
where:
bonds (distance) C4'-P energy: -11.104
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -9.282
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -17.132
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: 8, replica: 8
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -84.251519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.251519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.251519 (E_RNA)
where:
Base-Base interactions energy: -36.261
where: short stacking energy: -29.992
Base-Backbone interact. energy: -0.245
local terms energy: -47.744911
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -9.467
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -1.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -78.926691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.926691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.926691 (E_RNA)
where:
Base-Base interactions energy: -31.724
where: short stacking energy: -24.707
Base-Backbone interact. energy: -0.109
local terms energy: -47.094169
where:
bonds (distance) C4'-P energy: -10.577
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -6.405
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -5.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -70.171917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.171917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.171917 (E_RNA)
where:
Base-Base interactions energy: -29.147
where: short stacking energy: -29.002
Base-Backbone interact. energy: -0.057
local terms energy: -40.967892
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -8.464
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -1.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -208.289906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.289906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.289906 (E_RNA)
where:
Base-Base interactions energy: -144.089
where: short stacking energy: -62.885
Base-Backbone interact. energy: -0.001
local terms energy: -64.199461
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -11.713
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -15.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -206.411804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.411804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.411804 (E_RNA)
where:
Base-Base interactions energy: -140.795
where: short stacking energy: -58.823
Base-Backbone interact. energy: -0.477
local terms energy: -65.140457
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -13.639
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -17.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -199.594885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.594885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.594885 (E_RNA)
where:
Base-Base interactions energy: -135.763
where: short stacking energy: -55.974
Base-Backbone interact. energy: -0.708
local terms energy: -63.123976
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -15.984
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: 2
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -206.662779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.662779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.662779 (E_RNA)
where:
Base-Base interactions energy: -143.356
where: short stacking energy: -67.171
Base-Backbone interact. energy: -0.366
local terms energy: -62.940868
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: -18.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -197.790119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.790119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.790119 (E_RNA)
where:
Base-Base interactions energy: -135.037
where: short stacking energy: -56.669
Base-Backbone interact. energy: -0.291
local terms energy: -62.461883
where:
bonds (distance) C4'-P energy: -10.145
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -10.446
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -17.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -191.116134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.116134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.116134 (E_RNA)
where:
Base-Base interactions energy: -127.634
where: short stacking energy: -58.037
Base-Backbone interact. energy: -0.171
local terms energy: -63.311823
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -16.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -194.905448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.905448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.905448 (E_RNA)
where:
Base-Base interactions energy: -133.975
where: short stacking energy: -57.692
Base-Backbone interact. energy: 0.574
local terms energy: -61.505120
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -12.369
flat angles C4'-P-C4' energy: -11.327
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -14.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -89.721986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.721986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.721986 (E_RNA)
where:
Base-Base interactions energy: -42.922
where: short stacking energy: -30.383
Base-Backbone interact. energy: -0.198
local terms energy: -46.602022
where:
bonds (distance) C4'-P energy: -9.999
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -10.394
flat angles P-C4'-P energy: -5.589
tors. eta vs tors. theta energy: -6.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -85.343069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.343069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.343069 (E_RNA)
where:
Base-Base interactions energy: -36.680
where: short stacking energy: -36.680
Base-Backbone interact. energy: -0.169
local terms energy: -48.493862
where:
bonds (distance) C4'-P energy: -8.898
bonds (distance) P-C4' energy: -9.839
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -6.464
tors. eta vs tors. theta energy: -11.042
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: 10
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -63.215593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.215593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.215593 (E_RNA)
where:
Base-Base interactions energy: -27.033
where: short stacking energy: -21.555
Base-Backbone interact. energy: -0.022
local terms energy: -36.160559
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -11.740
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -1.853
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: 239
Temperature: 0.900000
Total energy: -208.907537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.907537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.907537 (E_RNA)
where:
Base-Base interactions energy: -141.719
where: short stacking energy: -59.703
Base-Backbone interact. energy: -0.219
local terms energy: -66.969481
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -9.587
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -16.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -211.251131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.251131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.251131 (E_RNA)
where:
Base-Base interactions energy: -137.615
where: short stacking energy: -65.347
Base-Backbone interact. energy: -0.956
local terms energy: -72.680118
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -19.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -205.693823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.693823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.693823 (E_RNA)
where:
Base-Base interactions energy: -140.239
where: short stacking energy: -67.503
Base-Backbone interact. energy: -0.012
local terms energy: -65.441962
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: -17.729
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: 4, replica: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -194.977820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.977820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.977820 (E_RNA)
where:
Base-Base interactions energy: -134.634
where: short stacking energy: -65.989
Base-Backbone interact. energy: -0.004
local terms energy: -60.339441
where:
bonds (distance) C4'-P energy: -8.257
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -8.049
tors. eta vs tors. theta energy: -16.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -197.269129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.269129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.269129 (E_RNA)
where:
Base-Base interactions energy: -131.808
where: short stacking energy: -61.161
Base-Backbone interact. energy: -0.719
local terms energy: -64.741925
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -6.357
tors. eta vs tors. theta energy: -16.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -197.941864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.941864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.941864 (E_RNA)
where:
Base-Base interactions energy: -132.882
where: short stacking energy: -57.674
Base-Backbone interact. energy: -0.324
local terms energy: -64.735953
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -15.163
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: 6
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -189.156098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.156098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.156098 (E_RNA)
where:
Base-Base interactions energy: -135.890
where: short stacking energy: -58.298
Base-Backbone interact. energy: -0.001
local terms energy: -53.265614
where:
bonds (distance) C4'-P energy: -8.306
bonds (distance) P-C4' energy: -13.255
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -5.380
tors. eta vs tors. theta energy: -14.536
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: 8, replica: 8
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -82.466331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.466331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.466331 (E_RNA)
where:
Base-Base interactions energy: -33.462
where: short stacking energy: -33.462
Base-Backbone interact. energy: -0.068
local terms energy: -48.936386
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -4.901
tors. eta vs tors. theta energy: -5.890
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: 7
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -77.636035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.636035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.636035 (E_RNA)
where:
Base-Base interactions energy: -28.337
where: short stacking energy: -28.937
Base-Backbone interact. energy: -0.061
local terms energy: -49.237862
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -4.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -68.915621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.915621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.915621 (E_RNA)
where:
Base-Base interactions energy: -21.950
where: short stacking energy: -16.952
Base-Backbone interact. energy: -0.242
local terms energy: -46.723807
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -7.899
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -3.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -213.778442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.778442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.778442 (E_RNA)
where:
Base-Base interactions energy: -148.111
where: short stacking energy: -65.317
Base-Backbone interact. energy: -0.022
local terms energy: -65.645273
where:
bonds (distance) C4'-P energy: -10.634
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -11.628
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -16.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -207.561384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.561384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.561384 (E_RNA)
where:
Base-Base interactions energy: -141.592
where: short stacking energy: -54.015
Base-Backbone interact. energy: -0.103
local terms energy: -65.866766
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -13.206
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: 3
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -206.762125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.762125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.762125 (E_RNA)
where:
Base-Base interactions energy: -138.064
where: short stacking energy: -64.608
Base-Backbone interact. energy: -0.569
local terms energy: -68.128548
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -12.010
tors. eta vs tors. theta energy: -17.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -204.249064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.249064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.249064 (E_RNA)
where:
Base-Base interactions energy: -139.842
where: short stacking energy: -55.582
Base-Backbone interact. energy: -0.070
local terms energy: -64.336411
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -5.587
tors. eta vs tors. theta energy: -17.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -199.245218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.245218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.245218 (E_RNA)
where:
Base-Base interactions energy: -129.910
where: short stacking energy: -67.948
Base-Backbone interact. energy: -0.001
local terms energy: -69.334805
where:
bonds (distance) C4'-P energy: -9.011
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -12.518
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -20.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -192.677731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.677731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.677731 (E_RNA)
where:
Base-Base interactions energy: -133.917
where: short stacking energy: -57.138
Base-Backbone interact. energy: -0.251
local terms energy: -58.509427
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -11.888
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -13.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -193.011811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.011811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.011811 (E_RNA)
where:
Base-Base interactions energy: -128.969
where: short stacking energy: -54.749
Base-Backbone interact. energy: -0.547
local terms energy: -63.495423
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -8.944
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -17.600
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: 8
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -84.957227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.957227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.957227 (E_RNA)
where:
Base-Base interactions energy: -40.629
where: short stacking energy: -38.824
Base-Backbone interact. energy: -0.308
local terms energy: -44.020566
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -10.869
flat angles C4'-P-C4' energy: -7.640
flat angles P-C4'-P energy: -6.772
tors. eta vs tors. theta energy: -6.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -77.084316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.084316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.084316 (E_RNA)
where:
Base-Base interactions energy: -26.500
where: short stacking energy: -26.500
Base-Backbone interact. energy: -0.521
local terms energy: -50.063542
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -10.854
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -4.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -70.050051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.050051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.050051 (E_RNA)
where:
Base-Base interactions energy: -35.592
where: short stacking energy: -30.924
Base-Backbone interact. energy: -0.014
local terms energy: -34.444247
where:
bonds (distance) C4'-P energy: -7.577
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -7.023
flat angles P-C4'-P energy: -4.912
tors. eta vs tors. theta energy: -2.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -213.312113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.312113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.312113 (E_RNA)
where:
Base-Base interactions energy: -145.844
where: short stacking energy: -67.461
Base-Backbone interact. energy: -0.581
local terms energy: -66.887280
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -11.650
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -16.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -207.217371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.217371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.217371 (E_RNA)
where:
Base-Base interactions energy: -141.236
where: short stacking energy: -69.011
Base-Backbone interact. energy: -0.123
local terms energy: -65.858741
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -9.632
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -17.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -203.505102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.505102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.505102 (E_RNA)
where:
Base-Base interactions energy: -136.000
where: short stacking energy: -54.564
Base-Backbone interact. energy: -0.623
local terms energy: -66.882130
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -14.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -181.900082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.900082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.900082 (E_RNA)
where:
Base-Base interactions energy: -118.075
where: short stacking energy: -55.921
Base-Backbone interact. energy: -0.006
local terms energy: -63.818966
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -15.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -195.714031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.714031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.714031 (E_RNA)
where:
Base-Base interactions energy: -133.151
where: short stacking energy: -59.650
Base-Backbone interact. energy: -0.045
local terms energy: -62.517765
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -6.056
tors. eta vs tors. theta energy: -16.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -196.676678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.676678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.676678 (E_RNA)
where:
Base-Base interactions energy: -136.125
where: short stacking energy: -60.683
Base-Backbone interact. energy: -0.266
local terms energy: -60.285402
where:
bonds (distance) C4'-P energy: -7.794
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -18.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -203.058036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.058036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.058036 (E_RNA)
where:
Base-Base interactions energy: -136.027
where: short stacking energy: -63.213
Base-Backbone interact. energy: -1.285
local terms energy: -65.746657
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -12.276
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -18.342
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: 10
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -78.886291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.886291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.886291 (E_RNA)
where:
Base-Base interactions energy: -24.639
where: short stacking energy: -24.639
Base-Backbone interact. energy: 0.268
local terms energy: -54.515256
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -10.714
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -8.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -77.169772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.169772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.169772 (E_RNA)
where:
Base-Base interactions energy: -28.035
where: short stacking energy: -28.035
Base-Backbone interact. energy: -0.010
local terms energy: -49.124372
where:
bonds (distance) C4'-P energy: -11.828
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -12.334
flat angles P-C4'-P energy: -6.345
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: 7
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -74.588781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.588781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.588781 (E_RNA)
where:
Base-Base interactions energy: -31.844
where: short stacking energy: -27.312
Base-Backbone interact. energy: -0.002
local terms energy: -42.742315
where:
bonds (distance) C4'-P energy: -9.775
bonds (distance) P-C4' energy: -9.364
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -3.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -211.754694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.754694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.754694 (E_RNA)
where:
Base-Base interactions energy: -141.071
where: short stacking energy: -63.789
Base-Backbone interact. energy: -0.241
local terms energy: -70.441759
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -16.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -209.986010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.986010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.986010 (E_RNA)
where:
Base-Base interactions energy: -139.549
where: short stacking energy: -66.568
Base-Backbone interact. energy: -0.002
local terms energy: -70.435286
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -16.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -206.309246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.309246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.309246 (E_RNA)
where:
Base-Base interactions energy: -140.339
where: short stacking energy: -65.077
Base-Backbone interact. energy: -0.309
local terms energy: -65.661428
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -11.019
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -10.204
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: 4, replica: 2
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -198.462819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.462819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.462819 (E_RNA)
where:
Base-Base interactions energy: -134.573
where: short stacking energy: -59.717
Base-Backbone interact. energy: -0.004
local terms energy: -63.886029
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -12.915
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: 5, replica: 9
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -202.756394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.756394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.756394 (E_RNA)
where:
Base-Base interactions energy: -134.803
where: short stacking energy: -65.681
Base-Backbone interact. energy: -0.031
local terms energy: -67.922513
where:
bonds (distance) C4'-P energy: -12.983
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -17.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -185.575203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.575203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.575203 (E_RNA)
where:
Base-Base interactions energy: -123.374
where: short stacking energy: -55.108
Base-Backbone interact. energy: -0.588
local terms energy: -61.613470
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -13.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -194.012404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.012404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.012404 (E_RNA)
where:
Base-Base interactions energy: -136.387
where: short stacking energy: -52.261
Base-Backbone interact. energy: -0.276
local terms energy: -57.350162
where:
bonds (distance) C4'-P energy: -10.368
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -12.059
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -12.474
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: 8, replica: 10
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -85.835333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.835333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.835333 (E_RNA)
where:
Base-Base interactions energy: -32.800
where: short stacking energy: -30.489
Base-Backbone interact. energy: -0.056
local terms energy: -52.978610
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -5.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -75.960027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.960027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.960027 (E_RNA)
where:
Base-Base interactions energy: -32.822
where: short stacking energy: -32.822
Base-Backbone interact. energy: -0.107
local terms energy: -43.031031
where:
bonds (distance) C4'-P energy: -9.338
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -9.951
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -1.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -68.854968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.854968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.854968 (E_RNA)
where:
Base-Base interactions energy: -25.976
where: short stacking energy: -25.423
Base-Backbone interact. energy: -0.210
local terms energy: -42.669299
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -5.759
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: 243
Temperature: 0.900000
Total energy: -209.850824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.850824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.850824 (E_RNA)
where:
Base-Base interactions energy: -142.196
where: short stacking energy: -58.340
Base-Backbone interact. energy: -0.141
local terms energy: -67.513830
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -14.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -209.793100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.793100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.793100 (E_RNA)
where:
Base-Base interactions energy: -141.686
where: short stacking energy: -62.925
Base-Backbone interact. energy: -0.002
local terms energy: -68.104889
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -18.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -215.273210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.273210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.273210 (E_RNA)
where:
Base-Base interactions energy: -141.553
where: short stacking energy: -69.496
Base-Backbone interact. energy: -0.282
local terms energy: -73.438516
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -17.272
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: 9
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -196.383121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.383121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.383121 (E_RNA)
where:
Base-Base interactions energy: -134.144
where: short stacking energy: -47.106
Base-Backbone interact. energy: -0.075
local terms energy: -62.164039
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -14.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -193.368597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.368597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.368597 (E_RNA)
where:
Base-Base interactions energy: -132.477
where: short stacking energy: -52.823
Base-Backbone interact. energy: -0.002
local terms energy: -60.889281
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -10.668
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -17.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -191.242540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.242540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.242540 (E_RNA)
where:
Base-Base interactions energy: -130.713
where: short stacking energy: -48.925
Base-Backbone interact. energy: -0.505
local terms energy: -60.025397
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -8.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -185.016574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.016574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.016574 (E_RNA)
where:
Base-Base interactions energy: -126.723
where: short stacking energy: -54.875
Base-Backbone interact. energy: -0.045
local terms energy: -58.248300
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -5.534
tors. eta vs tors. theta energy: -15.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -78.800436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.800436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.800436 (E_RNA)
where:
Base-Base interactions energy: -35.215
where: short stacking energy: -35.215
Base-Backbone interact. energy: -0.155
local terms energy: -43.430370
where:
bonds (distance) C4'-P energy: -7.917
bonds (distance) P-C4' energy: -10.358
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -4.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -75.412723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.412723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.412723 (E_RNA)
where:
Base-Base interactions energy: -29.870
where: short stacking energy: -29.822
Base-Backbone interact. energy: -0.106
local terms energy: -45.436140
where:
bonds (distance) C4'-P energy: -8.581
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -10.757
flat angles P-C4'-P energy: -4.528
tors. eta vs tors. theta energy: -6.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -73.880156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.880156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.880156 (E_RNA)
where:
Base-Base interactions energy: -34.371
where: short stacking energy: -22.676
Base-Backbone interact. energy: -0.293
local terms energy: -39.216486
where:
bonds (distance) C4'-P energy: -10.036
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -0.315
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: 1, replica: 5
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -212.073933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.073933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.073933 (E_RNA)
where:
Base-Base interactions energy: -150.466
where: short stacking energy: -65.819
Base-Backbone interact. energy: -0.290
local terms energy: -61.317097
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -4.007
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: 2, replica: 3
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -200.837198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.837198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.837198 (E_RNA)
where:
Base-Base interactions energy: -134.603
where: short stacking energy: -56.362
Base-Backbone interact. energy: -0.062
local terms energy: -66.171630
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -14.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -202.787290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.787290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.787290 (E_RNA)
where:
Base-Base interactions energy: -142.025
where: short stacking energy: -61.519
Base-Backbone interact. energy: -0.387
local terms energy: -60.375283
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -10.964
flat angles P-C4'-P energy: -5.917
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: 4, replica: 4
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -202.921400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.921400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.921400 (E_RNA)
where:
Base-Base interactions energy: -137.301
where: short stacking energy: -55.271
Base-Backbone interact. energy: -0.102
local terms energy: -65.518135
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -13.627
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: 5, replica: 2
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -204.818618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.818618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.818618 (E_RNA)
where:
Base-Base interactions energy: -139.597
where: short stacking energy: -58.588
Base-Backbone interact. energy: -0.082
local terms energy: -65.139651
where:
bonds (distance) C4'-P energy: -9.734
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -17.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -195.664819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.664819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.664819 (E_RNA)
where:
Base-Base interactions energy: -135.183
where: short stacking energy: -59.110
Base-Backbone interact. energy: -0.006
local terms energy: -60.475665
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -11.410
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -15.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -194.740379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.740379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.740379 (E_RNA)
where:
Base-Base interactions energy: -131.462
where: short stacking energy: -58.647
Base-Backbone interact. energy: -0.000
local terms energy: -63.277818
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: -18.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -75.990443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.990443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.990443 (E_RNA)
where:
Base-Base interactions energy: -29.512
where: short stacking energy: -26.257
Base-Backbone interact. energy: -0.268
local terms energy: -46.210414
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -11.195
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -3.285
tors. eta vs tors. theta energy: -7.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -80.505586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.505586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.505586 (E_RNA)
where:
Base-Base interactions energy: -33.200
where: short stacking energy: -33.200
Base-Backbone interact. energy: -0.050
local terms energy: -47.255555
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -3.523
tors. eta vs tors. theta energy: -7.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -85.119595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.119595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.119595 (E_RNA)
where:
Base-Base interactions energy: -38.018
where: short stacking energy: -35.922
Base-Backbone interact. energy: -0.109
local terms energy: -46.993334
where:
bonds (distance) C4'-P energy: -6.456
bonds (distance) P-C4' energy: -9.214
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -8.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -212.259364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.259364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.259364 (E_RNA)
where:
Base-Base interactions energy: -143.047
where: short stacking energy: -69.840
Base-Backbone interact. energy: -0.001
local terms energy: -69.211039
where:
bonds (distance) C4'-P energy: -10.167
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -18.454
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: 9
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -207.795380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.795380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.795380 (E_RNA)
where:
Base-Base interactions energy: -146.849
where: short stacking energy: -58.872
Base-Backbone interact. energy: -0.109
local terms energy: -60.837199
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -12.688
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -14.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -202.352096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.352096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.352096 (E_RNA)
where:
Base-Base interactions energy: -136.239
where: short stacking energy: -58.562
Base-Backbone interact. energy: -0.910
local terms energy: -65.203234
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -11.251
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: 4, replica: 4
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -210.798481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.798481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.798481 (E_RNA)
where:
Base-Base interactions energy: -145.496
where: short stacking energy: -58.752
Base-Backbone interact. energy: -0.174
local terms energy: -65.128319
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -8.946
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -17.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -181.081513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.081513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.081513 (E_RNA)
where:
Base-Base interactions energy: -111.847
where: short stacking energy: -54.150
Base-Backbone interact. energy: -0.054
local terms energy: -69.181072
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -17.752
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: 6
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -190.031529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.031529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.031529 (E_RNA)
where:
Base-Base interactions energy: -132.704
where: short stacking energy: -55.245
Base-Backbone interact. energy: -0.125
local terms energy: -57.202722
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -12.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -184.939471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.939471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.939471 (E_RNA)
where:
Base-Base interactions energy: -126.006
where: short stacking energy: -52.286
Base-Backbone interact. energy: -0.096
local terms energy: -58.837917
where:
bonds (distance) C4'-P energy: -7.363
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -10.732
flat angles P-C4'-P energy: -11.114
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: 8, replica: 10
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -85.631388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.631388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.631388 (E_RNA)
where:
Base-Base interactions energy: -38.032
where: short stacking energy: -36.162
Base-Backbone interact. energy: -0.092
local terms energy: -47.506778
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -9.575
flat angles C4'-P-C4' energy: -10.331
flat angles P-C4'-P energy: -4.802
tors. eta vs tors. theta energy: -9.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -83.515256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.515256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.515256 (E_RNA)
where:
Base-Base interactions energy: -41.604
where: short stacking energy: -22.931
Base-Backbone interact. energy: 0.371
local terms energy: -42.281734
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -11.458
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -6.486
tors. eta vs tors. theta energy: -1.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -70.906106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.906106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.906106 (E_RNA)
where:
Base-Base interactions energy: -26.663
where: short stacking energy: -26.663
Base-Backbone interact. energy: -0.014
local terms energy: -44.229161
where:
bonds (distance) C4'-P energy: -11.097
bonds (distance) P-C4' energy: -11.558
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -0.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -203.363604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.363604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.363604 (E_RNA)
where:
Base-Base interactions energy: -141.057
where: short stacking energy: -65.830
Base-Backbone interact. energy: -0.466
local terms energy: -61.840546
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -10.821
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -16.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -201.319459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.319459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.319459 (E_RNA)
where:
Base-Base interactions energy: -141.516
where: short stacking energy: -60.465
Base-Backbone interact. energy: -0.096
local terms energy: -59.708014
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -8.863
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -17.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -204.728975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.728975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.728975 (E_RNA)
where:
Base-Base interactions energy: -137.238
where: short stacking energy: -66.559
Base-Backbone interact. energy: -0.028
local terms energy: -67.463733
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -12.044
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -10.817
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: 4, replica: 3
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -191.195147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.195147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.195147 (E_RNA)
where:
Base-Base interactions energy: -132.254
where: short stacking energy: -58.357
Base-Backbone interact. energy: -0.059
local terms energy: -58.881571
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -12.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -191.110169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.110169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.110169 (E_RNA)
where:
Base-Base interactions energy: -129.393
where: short stacking energy: -52.243
Base-Backbone interact. energy: -0.074
local terms energy: -61.643141
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -11.174
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -13.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -188.670726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.670726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.670726 (E_RNA)
where:
Base-Base interactions energy: -128.722
where: short stacking energy: -51.974
Base-Backbone interact. energy: -0.094
local terms energy: -59.854164
where:
bonds (distance) C4'-P energy: -8.451
bonds (distance) P-C4' energy: -11.313
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -16.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -190.168619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.168619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.168619 (E_RNA)
where:
Base-Base interactions energy: -128.222
where: short stacking energy: -59.204
Base-Backbone interact. energy: -0.000
local terms energy: -61.946990
where:
bonds (distance) C4'-P energy: -10.603
bonds (distance) P-C4' energy: -10.782
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -17.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -89.694747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.694747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.694747 (E_RNA)
where:
Base-Base interactions energy: -47.033
where: short stacking energy: -23.723
Base-Backbone interact. energy: -0.025
local terms energy: -42.637420
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -3.360
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -5.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -75.176458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.176458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.176458 (E_RNA)
where:
Base-Base interactions energy: -30.929
where: short stacking energy: -30.614
Base-Backbone interact. energy: 0.561
local terms energy: -44.807568
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -4.191
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: 8
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -110.821360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.821360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.821360 (E_RNA)
where:
Base-Base interactions energy: -69.078
where: short stacking energy: -25.053
Base-Backbone interact. energy: -0.190
local terms energy: -41.553449
where:
bonds (distance) C4'-P energy: -9.009
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -8.843
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: 1.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -209.187476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.187476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.187476 (E_RNA)
where:
Base-Base interactions energy: -141.540
where: short stacking energy: -63.862
Base-Backbone interact. energy: -0.308
local terms energy: -67.339826
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -12.822
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: 2, replica: 9
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -187.679587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.679587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.679587 (E_RNA)
where:
Base-Base interactions energy: -127.779
where: short stacking energy: -59.307
Base-Backbone interact. energy: -0.592
local terms energy: -59.308062
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -13.045
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: 4
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -201.353144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.353144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.353144 (E_RNA)
where:
Base-Base interactions energy: -139.561
where: short stacking energy: -63.019
Base-Backbone interact. energy: -0.011
local terms energy: -61.781424
where:
bonds (distance) C4'-P energy: -8.066
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -17.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -205.383273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.383273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.383273 (E_RNA)
where:
Base-Base interactions energy: -140.971
where: short stacking energy: -64.019
Base-Backbone interact. energy: -0.001
local terms energy: -64.411694
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -13.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -200.620881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.620881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.620881 (E_RNA)
where:
Base-Base interactions energy: -136.445
where: short stacking energy: -64.460
Base-Backbone interact. energy: -0.749
local terms energy: -63.426838
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -4.652
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: 6, replica: 2
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -191.332446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.332446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.332446 (E_RNA)
where:
Base-Base interactions energy: -136.140
where: short stacking energy: -61.953
Base-Backbone interact. energy: -0.137
local terms energy: -55.054613
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -14.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -189.547053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.547053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.547053 (E_RNA)
where:
Base-Base interactions energy: -127.008
where: short stacking energy: -55.530
Base-Backbone interact. energy: -0.910
local terms energy: -61.628736
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -13.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -82.432936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.432936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.432936 (E_RNA)
where:
Base-Base interactions energy: -36.181
where: short stacking energy: -32.672
Base-Backbone interact. energy: -0.355
local terms energy: -45.897306
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -7.604
tors. eta vs tors. theta energy: -4.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -85.745296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.745296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.745296 (E_RNA)
where:
Base-Base interactions energy: -32.212
where: short stacking energy: -32.212
Base-Backbone interact. energy: -0.032
local terms energy: -53.502155
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -6.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -125.062885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.062885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.062885 (E_RNA)
where:
Base-Base interactions energy: -81.132
where: short stacking energy: -33.670
Base-Backbone interact. energy: -0.445
local terms energy: -43.486103
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -11.065
flat angles P-C4'-P energy: -5.661
tors. eta vs tors. theta energy: -2.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -207.163207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.163207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.163207 (E_RNA)
where:
Base-Base interactions energy: -143.036
where: short stacking energy: -57.674
Base-Backbone interact. energy: -0.295
local terms energy: -63.832166
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -15.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -201.761043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.761043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.761043 (E_RNA)
where:
Base-Base interactions energy: -135.441
where: short stacking energy: -63.690
Base-Backbone interact. energy: -0.597
local terms energy: -65.722960
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -14.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -203.402178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.402178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.402178 (E_RNA)
where:
Base-Base interactions energy: -139.590
where: short stacking energy: -66.001
Base-Backbone interact. energy: -0.289
local terms energy: -63.522696
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -6.631
tors. eta vs tors. theta energy: -15.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -200.776929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.776929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.776929 (E_RNA)
where:
Base-Base interactions energy: -139.964
where: short stacking energy: -61.856
Base-Backbone interact. energy: -0.003
local terms energy: -60.809849
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -13.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -202.686462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.686462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.686462 (E_RNA)
where:
Base-Base interactions energy: -139.272
where: short stacking energy: -66.581
Base-Backbone interact. energy: -2.073
local terms energy: -61.341203
where:
bonds (distance) C4'-P energy: -8.538
bonds (distance) P-C4' energy: -11.984
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -17.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -192.085295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.085295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.085295 (E_RNA)
where:
Base-Base interactions energy: -134.830
where: short stacking energy: -54.145
Base-Backbone interact. energy: -0.255
local terms energy: -57.000152
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -8.104
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -17.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -199.611760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.611760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.611760 (E_RNA)
where:
Base-Base interactions energy: -139.600
where: short stacking energy: -57.940
Base-Backbone interact. energy: -0.070
local terms energy: -59.942022
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -4.037
tors. eta vs tors. theta energy: -17.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -78.952430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.952430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.952430 (E_RNA)
where:
Base-Base interactions energy: -30.904
where: short stacking energy: -26.345
Base-Backbone interact. energy: 0.557
local terms energy: -48.604725
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -7.308
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: 9, replica: 8
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -76.501280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.501280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.501280 (E_RNA)
where:
Base-Base interactions energy: -36.651
where: short stacking energy: -24.471
Base-Backbone interact. energy: -0.008
local terms energy: -39.842704
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -5.344
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -0.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -74.197194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.197194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.197194 (E_RNA)
where:
Base-Base interactions energy: -29.380
where: short stacking energy: -30.580
Base-Backbone interact. energy: -0.117
local terms energy: -44.699614
where:
bonds (distance) C4'-P energy: -9.333
bonds (distance) P-C4' energy: -8.832
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -7.034
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: 9
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -212.225046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.225046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.225046 (E_RNA)
where:
Base-Base interactions energy: -141.203
where: short stacking energy: -69.484
Base-Backbone interact. energy: -0.610
local terms energy: -70.412386
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -16.902
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: 2, replica: 6
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -206.856859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.856859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.856859 (E_RNA)
where:
Base-Base interactions energy: -140.752
where: short stacking energy: -70.736
Base-Backbone interact. energy: -0.001
local terms energy: -66.104450
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -18.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -201.382087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.382087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.382087 (E_RNA)
where:
Base-Base interactions energy: -133.849
where: short stacking energy: -64.519
Base-Backbone interact. energy: -0.076
local terms energy: -67.457214
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -11.742
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -16.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -197.439306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.439306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.439306 (E_RNA)
where:
Base-Base interactions energy: -135.701
where: short stacking energy: -62.029
Base-Backbone interact. energy: -0.002
local terms energy: -61.736195
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: -16.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -191.157518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.157518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.157518 (E_RNA)
where:
Base-Base interactions energy: -132.279
where: short stacking energy: -61.621
Base-Backbone interact. energy: -0.644
local terms energy: -58.234487
where:
bonds (distance) C4'-P energy: -8.927
bonds (distance) P-C4' energy: -8.967
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -16.850
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: 6, replica: 1
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -203.020615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.020615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.020615 (E_RNA)
where:
Base-Base interactions energy: -140.199
where: short stacking energy: -67.332
Base-Backbone interact. energy: -0.290
local terms energy: -62.532299
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -16.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -191.159551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.159551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.159551 (E_RNA)
where:
Base-Base interactions energy: -130.977
where: short stacking energy: -49.887
Base-Backbone interact. energy: -0.634
local terms energy: -59.548379
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -8.757
flat angles P-C4'-P energy: -10.072
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: 8, replica: 8
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -150.372338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.372338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.372338 (E_RNA)
where:
Base-Base interactions energy: -97.339
where: short stacking energy: -43.661
Base-Backbone interact. energy: -0.170
local terms energy: -52.862935
where:
bonds (distance) C4'-P energy: -8.248
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -9.355
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: 9, replica: 7
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -78.528447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.528447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.528447 (E_RNA)
where:
Base-Base interactions energy: -33.936
where: short stacking energy: -22.819
Base-Backbone interact. energy: -0.618
local terms energy: -43.974297
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -10.238
flat angles P-C4'-P energy: -5.674
tors. eta vs tors. theta energy: 0.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -71.417647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.417647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.417647 (E_RNA)
where:
Base-Base interactions energy: -24.675
where: short stacking energy: -17.783
Base-Backbone interact. energy: -1.063
local terms energy: -45.679303
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -3.941
tors. eta vs tors. theta energy: 0.383
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: 1, replica: 6
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -215.494712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.494712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.494712 (E_RNA)
where:
Base-Base interactions energy: -145.433
where: short stacking energy: -66.241
Base-Backbone interact. energy: -0.000
local terms energy: -70.061886
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -18.186
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: 9
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -209.693741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.693741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.693741 (E_RNA)
where:
Base-Base interactions energy: -142.176
where: short stacking energy: -69.087
Base-Backbone interact. energy: -0.042
local terms energy: -67.476007
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -18.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -201.950336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.950336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.950336 (E_RNA)
where:
Base-Base interactions energy: -135.008
where: short stacking energy: -66.890
Base-Backbone interact. energy: -0.133
local terms energy: -66.809449
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -9.861
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -16.627
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: 5
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -204.381944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.381944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.381944 (E_RNA)
where:
Base-Base interactions energy: -139.001
where: short stacking energy: -62.181
Base-Backbone interact. energy: -0.001
local terms energy: -65.380669
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -14.662
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -5.428
tors. eta vs tors. theta energy: -18.954
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: 1
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -202.754132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.754132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.754132 (E_RNA)
where:
Base-Base interactions energy: -138.558
where: short stacking energy: -63.788
Base-Backbone interact. energy: 0.200
local terms energy: -64.396968
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -15.637
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: 4
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -180.575503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.575503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.575503 (E_RNA)
where:
Base-Base interactions energy: -126.959
where: short stacking energy: -47.720
Base-Backbone interact. energy: -0.156
local terms energy: -53.460349
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -12.052
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -6.233
tors. eta vs tors. theta energy: -11.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -183.944958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.944958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.944958 (E_RNA)
where:
Base-Base interactions energy: -127.016
where: short stacking energy: -55.724
Base-Backbone interact. energy: -1.267
local terms energy: -55.661815
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -5.639
tors. eta vs tors. theta energy: -13.613
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: 8
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -172.551909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.551909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.551909 (E_RNA)
where:
Base-Base interactions energy: -119.122
where: short stacking energy: -48.485
Base-Backbone interact. energy: -0.080
local terms energy: -53.350276
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -10.591
flat angles P-C4'-P energy: -4.276
tors. eta vs tors. theta energy: -14.426
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: 10
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -67.839023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.839023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.839023 (E_RNA)
where:
Base-Base interactions energy: -26.734
where: short stacking energy: -22.362
Base-Backbone interact. energy: -0.162
local terms energy: -40.942426
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -9.035
flat angles P-C4'-P energy: -7.099
tors. eta vs tors. theta energy: 2.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -71.754523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.754523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.754523 (E_RNA)
where:
Base-Base interactions energy: -26.017
where: short stacking energy: -26.017
Base-Backbone interact. energy: -0.058
local terms energy: -45.679921
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -8.109
flat angles P-C4'-P energy: -5.186
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: 1, replica: 6
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -209.634953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.634953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.634953 (E_RNA)
where:
Base-Base interactions energy: -147.449
where: short stacking energy: -57.840
Base-Backbone interact. energy: -0.333
local terms energy: -61.853842
where:
bonds (distance) C4'-P energy: -9.217
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -14.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -209.096850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.096850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.096850 (E_RNA)
where:
Base-Base interactions energy: -140.554
where: short stacking energy: -62.317
Base-Backbone interact. energy: -0.008
local terms energy: -68.534687
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -16.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -203.120191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.120191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.120191 (E_RNA)
where:
Base-Base interactions energy: -137.016
where: short stacking energy: -57.006
Base-Backbone interact. energy: -0.621
local terms energy: -65.483516
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -14.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -207.251452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.251452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.251452 (E_RNA)
where:
Base-Base interactions energy: -136.935
where: short stacking energy: -62.382
Base-Backbone interact. energy: -1.307
local terms energy: -69.009490
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -19.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -194.257684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.257684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.257684 (E_RNA)
where:
Base-Base interactions energy: -135.363
where: short stacking energy: -58.530
Base-Backbone interact. energy: -0.172
local terms energy: -58.722669
where:
bonds (distance) C4'-P energy: -9.479
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -15.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -196.252023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.252023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.252023 (E_RNA)
where:
Base-Base interactions energy: -134.544
where: short stacking energy: -54.333
Base-Backbone interact. energy: -0.020
local terms energy: -61.687452
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -8.942
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -15.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -186.126972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.126972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.126972 (E_RNA)
where:
Base-Base interactions energy: -135.788
where: short stacking energy: -60.624
Base-Backbone interact. energy: -0.020
local terms energy: -50.318653
where:
bonds (distance) C4'-P energy: -8.406
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -9.067
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -9.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -175.430704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.430704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.430704 (E_RNA)
where:
Base-Base interactions energy: -122.344
where: short stacking energy: -44.254
Base-Backbone interact. energy: -0.108
local terms energy: -52.977996
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -9.550
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -9.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -73.275354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.275354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.275354 (E_RNA)
where:
Base-Base interactions energy: -21.984
where: short stacking energy: -21.984
Base-Backbone interact. energy: -0.007
local terms energy: -51.283924
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -11.212
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -5.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -71.471305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.471305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.471305 (E_RNA)
where:
Base-Base interactions energy: -32.235
where: short stacking energy: -25.698
Base-Backbone interact. energy: 0.591
local terms energy: -39.827537
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -10.524
flat angles C4'-P-C4' energy: -8.153
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: 0.755
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: 1, replica: 6
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -205.673721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.673721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.673721 (E_RNA)
where:
Base-Base interactions energy: -140.030
where: short stacking energy: -63.405
Base-Backbone interact. energy: -0.005
local terms energy: -65.638881
where:
bonds (distance) C4'-P energy: -7.982
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -15.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -205.355837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.355837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.355837 (E_RNA)
where:
Base-Base interactions energy: -141.556
where: short stacking energy: -68.275
Base-Backbone interact. energy: -0.004
local terms energy: -63.795786
where:
bonds (distance) C4'-P energy: -9.838
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -16.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -207.096144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.096144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.096144 (E_RNA)
where:
Base-Base interactions energy: -141.835
where: short stacking energy: -67.738
Base-Backbone interact. energy: -0.000
local terms energy: -65.261150
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -10.952
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -15.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -200.653608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.653608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.653608 (E_RNA)
where:
Base-Base interactions energy: -138.537
where: short stacking energy: -65.769
Base-Backbone interact. energy: -0.010
local terms energy: -62.105947
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -10.446
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -13.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -193.004785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.004785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.004785 (E_RNA)
where:
Base-Base interactions energy: -133.424
where: short stacking energy: -55.521
Base-Backbone interact. energy: -0.772
local terms energy: -58.808752
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -11.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -190.791582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.791582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.791582 (E_RNA)
where:
Base-Base interactions energy: -137.911
where: short stacking energy: -62.657
Base-Backbone interact. energy: 3.457
local terms energy: -56.336726
where:
bonds (distance) C4'-P energy: -10.019
bonds (distance) P-C4' energy: -7.902
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -15.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -192.015654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.015654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.015654 (E_RNA)
where:
Base-Base interactions energy: -135.235
where: short stacking energy: -62.345
Base-Backbone interact. energy: -0.002
local terms energy: -56.779097
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -4.210
tors. eta vs tors. theta energy: -16.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -174.193798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.193798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.193798 (E_RNA)
where:
Base-Base interactions energy: -121.696
where: short stacking energy: -51.107
Base-Backbone interact. energy: -0.109
local terms energy: -52.389519
where:
bonds (distance) C4'-P energy: -9.482
bonds (distance) P-C4' energy: -12.615
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -9.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -68.493067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.493067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.493067 (E_RNA)
where:
Base-Base interactions energy: -26.627
where: short stacking energy: -21.138
Base-Backbone interact. energy: -0.345
local terms energy: -41.521327
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -6.159
flat angles P-C4'-P energy: -5.709
tors. eta vs tors. theta energy: -2.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -68.541421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.541421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.541421 (E_RNA)
where:
Base-Base interactions energy: -27.636
where: short stacking energy: -27.636
Base-Backbone interact. energy: 0.238
local terms energy: -41.143333
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -10.756
flat angles C4'-P-C4' energy: -2.330
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -5.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -210.134603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.134603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.134603 (E_RNA)
where:
Base-Base interactions energy: -140.987
where: short stacking energy: -63.301
Base-Backbone interact. energy: -0.810
local terms energy: -68.338030
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -17.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -215.284191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.284191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.284191 (E_RNA)
where:
Base-Base interactions energy: -145.609
where: short stacking energy: -62.502
Base-Backbone interact. energy: -0.003
local terms energy: -69.672585
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -15.218
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: 3
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -203.887934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.887934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.887934 (E_RNA)
where:
Base-Base interactions energy: -135.348
where: short stacking energy: -65.754
Base-Backbone interact. energy: -0.157
local terms energy: -68.383395
where:
bonds (distance) C4'-P energy: -12.060
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -17.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -198.450044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.450044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.450044 (E_RNA)
where:
Base-Base interactions energy: -134.042
where: short stacking energy: -57.222
Base-Backbone interact. energy: -0.002
local terms energy: -64.405335
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -17.168
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: 2
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -205.702985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.702985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.702985 (E_RNA)
where:
Base-Base interactions energy: -140.804
where: short stacking energy: -60.697
Base-Backbone interact. energy: -0.009
local terms energy: -64.890204
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -10.443
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -14.709
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: 4
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -195.517470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.517470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.517470 (E_RNA)
where:
Base-Base interactions energy: -136.458
where: short stacking energy: -63.250
Base-Backbone interact. energy: -0.181
local terms energy: -58.878919
where:
bonds (distance) C4'-P energy: -10.595
bonds (distance) P-C4' energy: -11.080
flat angles C4'-P-C4' energy: -11.119
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -16.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -195.213215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.213215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.213215 (E_RNA)
where:
Base-Base interactions energy: -136.279
where: short stacking energy: -55.102
Base-Backbone interact. energy: -0.200
local terms energy: -58.734508
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -12.316
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -12.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -184.608808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.608808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.608808 (E_RNA)
where:
Base-Base interactions energy: -123.334
where: short stacking energy: -53.127
Base-Backbone interact. energy: -0.010
local terms energy: -61.264800
where:
bonds (distance) C4'-P energy: -11.179
bonds (distance) P-C4' energy: -12.934
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -13.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -82.343042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.343042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.343042 (E_RNA)
where:
Base-Base interactions energy: -38.223
where: short stacking energy: -26.418
Base-Backbone interact. energy: -0.704
local terms energy: -43.416968
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -10.282
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -1.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -71.527792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.527792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.527792 (E_RNA)
where:
Base-Base interactions energy: -24.928
where: short stacking energy: -20.639
Base-Backbone interact. energy: -0.121
local terms energy: -46.479040
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -11.380
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: -3.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -210.376378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.376378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.376378 (E_RNA)
where:
Base-Base interactions energy: -139.639
where: short stacking energy: -59.939
Base-Backbone interact. energy: -1.723
local terms energy: -69.014137
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -17.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -210.247587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.247587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.247587 (E_RNA)
where:
Base-Base interactions energy: -141.556
where: short stacking energy: -65.555
Base-Backbone interact. energy: -0.304
local terms energy: -68.387593
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -17.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -202.528461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.528461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.528461 (E_RNA)
where:
Base-Base interactions energy: -144.179
where: short stacking energy: -62.482
Base-Backbone interact. energy: -0.178
local terms energy: -58.170938
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -7.409
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -13.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -201.888765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.888765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.888765 (E_RNA)
where:
Base-Base interactions energy: -136.712
where: short stacking energy: -64.810
Base-Backbone interact. energy: -0.004
local terms energy: -65.172735
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -15.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -198.402029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.402029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.402029 (E_RNA)
where:
Base-Base interactions energy: -136.402
where: short stacking energy: -55.591
Base-Backbone interact. energy: -0.026
local terms energy: -61.974856
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -8.247
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -17.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -194.864295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.864295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.864295 (E_RNA)
where:
Base-Base interactions energy: -139.716
where: short stacking energy: -65.124
Base-Backbone interact. energy: -1.428
local terms energy: -53.720778
where:
bonds (distance) C4'-P energy: -6.532
bonds (distance) P-C4' energy: -8.805
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -18.116
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: 1
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -195.927920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.927920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.927920 (E_RNA)
where:
Base-Base interactions energy: -134.484
where: short stacking energy: -55.311
Base-Backbone interact. energy: -0.216
local terms energy: -61.227499
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -14.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -179.312010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.312010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.312010 (E_RNA)
where:
Base-Base interactions energy: -119.394
where: short stacking energy: -56.895
Base-Backbone interact. energy: -0.000
local terms energy: -59.917553
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -12.484
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -14.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -68.157798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.157798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.157798 (E_RNA)
where:
Base-Base interactions energy: -27.952
where: short stacking energy: -27.952
Base-Backbone interact. energy: 2.918
local terms energy: -43.124499
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -10.324
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -7.090
tors. eta vs tors. theta energy: -1.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -74.392324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.392324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.392324 (E_RNA)
where:
Base-Base interactions energy: -32.150
where: short stacking energy: -32.150
Base-Backbone interact. energy: -0.042
local terms energy: -42.200444
where:
bonds (distance) C4'-P energy: -9.081
bonds (distance) P-C4' energy: -10.981
flat angles C4'-P-C4' energy: -7.497
flat angles P-C4'-P energy: -3.665
tors. eta vs tors. theta energy: -10.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -209.889936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.889936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.889936 (E_RNA)
where:
Base-Base interactions energy: -139.984
where: short stacking energy: -66.679
Base-Backbone interact. energy: -0.003
local terms energy: -69.903022
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -15.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -209.132515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.132515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.132515 (E_RNA)
where:
Base-Base interactions energy: -140.310
where: short stacking energy: -66.818
Base-Backbone interact. energy: -0.000
local terms energy: -68.821962
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -16.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -208.753274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.753274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.753274 (E_RNA)
where:
Base-Base interactions energy: -139.714
where: short stacking energy: -60.091
Base-Backbone interact. energy: -0.041
local terms energy: -68.998055
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -18.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -199.849954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.849954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.849954 (E_RNA)
where:
Base-Base interactions energy: -134.349
where: short stacking energy: -63.141
Base-Backbone interact. energy: -0.976
local terms energy: -64.524742
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -10.947
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -16.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -201.552349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.552349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.552349 (E_RNA)
where:
Base-Base interactions energy: -135.003
where: short stacking energy: -60.150
Base-Backbone interact. energy: -0.172
local terms energy: -66.377745
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -17.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -192.365236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.365236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.365236 (E_RNA)
where:
Base-Base interactions energy: -128.757
where: short stacking energy: -52.232
Base-Backbone interact. energy: -1.117
local terms energy: -62.491531
where:
bonds (distance) C4'-P energy: -8.794
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -13.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -188.339864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.339864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.339864 (E_RNA)
where:
Base-Base interactions energy: -125.699
where: short stacking energy: -55.761
Base-Backbone interact. energy: -0.009
local terms energy: -62.631750
where:
bonds (distance) C4'-P energy: -5.605
bonds (distance) P-C4' energy: -12.836
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -19.159
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: 8
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -170.506135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.506135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.506135 (E_RNA)
where:
Base-Base interactions energy: -110.269
where: short stacking energy: -43.421
Base-Backbone interact. energy: -0.085
local terms energy: -60.152233
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -8.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -74.257458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.257458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.257458 (E_RNA)
where:
Base-Base interactions energy: -34.594
where: short stacking energy: -19.098
Base-Backbone interact. energy: -1.132
local terms energy: -38.531679
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -10.989
flat angles P-C4'-P energy: -1.615
tors. eta vs tors. theta energy: 1.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -67.216551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.216551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.216551 (E_RNA)
where:
Base-Base interactions energy: -28.374
where: short stacking energy: -21.082
Base-Backbone interact. energy: -0.106
local terms energy: -38.736919
where:
bonds (distance) C4'-P energy: -4.701
bonds (distance) P-C4' energy: -11.555
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -9.045
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: 9
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -208.661454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.661454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.661454 (E_RNA)
where:
Base-Base interactions energy: -144.333
where: short stacking energy: -63.838
Base-Backbone interact. energy: -0.592
local terms energy: -63.736776
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -10.489
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -15.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -209.500942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.500942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.500942 (E_RNA)
where:
Base-Base interactions energy: -143.648
where: short stacking energy: -63.902
Base-Backbone interact. energy: -0.023
local terms energy: -65.829457
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -15.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -207.030436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.030436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.030436 (E_RNA)
where:
Base-Base interactions energy: -141.173
where: short stacking energy: -53.069
Base-Backbone interact. energy: -0.003
local terms energy: -65.854157
where:
bonds (distance) C4'-P energy: -10.554
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -15.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -205.697935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.697935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.697935 (E_RNA)
where:
Base-Base interactions energy: -135.568
where: short stacking energy: -61.797
Base-Backbone interact. energy: -0.413
local terms energy: -69.717439
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -18.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -192.710098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.710098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.710098 (E_RNA)
where:
Base-Base interactions energy: -130.599
where: short stacking energy: -64.810
Base-Backbone interact. energy: -0.352
local terms energy: -61.758669
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -11.138
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -17.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -190.125274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.125274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.125274 (E_RNA)
where:
Base-Base interactions energy: -131.648
where: short stacking energy: -53.221
Base-Backbone interact. energy: -0.027
local terms energy: -58.449909
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -11.948
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -11.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -183.538363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.538363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.538363 (E_RNA)
where:
Base-Base interactions energy: -127.624
where: short stacking energy: -52.832
Base-Backbone interact. energy: -0.005
local terms energy: -55.909759
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -10.627
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -13.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -184.875424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.875424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.875424 (E_RNA)
where:
Base-Base interactions energy: -137.540
where: short stacking energy: -52.577
Base-Backbone interact. energy: -0.183
local terms energy: -47.152552
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -7.203
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -4.027
tors. eta vs tors. theta energy: -10.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -70.957709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.957709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.957709 (E_RNA)
where:
Base-Base interactions energy: -26.035
where: short stacking energy: -21.395
Base-Backbone interact. energy: -0.060
local terms energy: -44.862761
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: 1.748
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: 7
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -73.174214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.174214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.174214 (E_RNA)
where:
Base-Base interactions energy: -30.108
where: short stacking energy: -16.493
Base-Backbone interact. energy: -0.023
local terms energy: -43.042430
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -11.187
flat angles C4'-P-C4' energy: -7.997
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -1.851
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: 9
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -216.249579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.249579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.249579 (E_RNA)
where:
Base-Base interactions energy: -150.046
where: short stacking energy: -64.370
Base-Backbone interact. energy: -0.049
local terms energy: -66.154255
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -16.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -206.565977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.565977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.565977 (E_RNA)
where:
Base-Base interactions energy: -146.623
where: short stacking energy: -56.533
Base-Backbone interact. energy: -0.042
local terms energy: -59.900890
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -11.928
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -7.421
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: 3, replica: 6
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -200.835345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.835345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.835345 (E_RNA)
where:
Base-Base interactions energy: -134.547
where: short stacking energy: -63.625
Base-Backbone interact. energy: -0.001
local terms energy: -66.287514
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -15.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -200.387268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.387268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.387268 (E_RNA)
where:
Base-Base interactions energy: -134.563
where: short stacking energy: -57.169
Base-Backbone interact. energy: -0.575
local terms energy: -65.249023
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -15.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -197.157797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.157797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.157797 (E_RNA)
where:
Base-Base interactions energy: -130.582
where: short stacking energy: -59.749
Base-Backbone interact. energy: -0.537
local terms energy: -66.038754
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -16.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -164.096572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.096572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.096572 (E_RNA)
where:
Base-Base interactions energy: -105.366
where: short stacking energy: -49.560
Base-Backbone interact. energy: 0.756
local terms energy: -59.485957
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -5.541
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: 7, replica: 4
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -183.551316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.551316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.551316 (E_RNA)
where:
Base-Base interactions energy: -128.507
where: short stacking energy: -58.465
Base-Backbone interact. energy: 0.026
local terms energy: -55.070155
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -7.453
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -13.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -186.062475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.062475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.062475 (E_RNA)
where:
Base-Base interactions energy: -129.027
where: short stacking energy: -55.901
Base-Backbone interact. energy: -0.099
local terms energy: -56.936799
where:
bonds (distance) C4'-P energy: -9.760
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -12.058
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -12.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -64.772636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.772636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.772636 (E_RNA)
where:
Base-Base interactions energy: -32.939
where: short stacking energy: -14.683
Base-Backbone interact. energy: -0.128
local terms energy: -31.705736
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -8.995
flat angles C4'-P-C4' energy: -9.330
flat angles P-C4'-P energy: -6.654
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: 7
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -73.189763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.189763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.189763 (E_RNA)
where:
Base-Base interactions energy: -28.219
where: short stacking energy: -27.648
Base-Backbone interact. energy: -0.330
local terms energy: -44.640677
where:
bonds (distance) C4'-P energy: -9.229
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -8.531
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -4.528
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: 1, replica: 3
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -207.499807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.499807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.499807 (E_RNA)
where:
Base-Base interactions energy: -138.278
where: short stacking energy: -61.975
Base-Backbone interact. energy: -0.437
local terms energy: -68.784656
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -15.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -208.150260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.150260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.150260 (E_RNA)
where:
Base-Base interactions energy: -143.026
where: short stacking energy: -61.062
Base-Backbone interact. energy: -0.248
local terms energy: -64.876103
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -15.649
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: 3, replica: 6
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -206.788673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.788673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.788673 (E_RNA)
where:
Base-Base interactions energy: -137.148
where: short stacking energy: -67.959
Base-Backbone interact. energy: -0.126
local terms energy: -69.515143
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -12.999
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -17.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -204.795870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.795870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.795870 (E_RNA)
where:
Base-Base interactions energy: -137.700
where: short stacking energy: -55.709
Base-Backbone interact. energy: -0.002
local terms energy: -67.093371
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -15.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -200.527643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.527643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.527643 (E_RNA)
where:
Base-Base interactions energy: -140.859
where: short stacking energy: -58.810
Base-Backbone interact. energy: -0.066
local terms energy: -59.602947
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -14.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -192.736906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.736906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.736906 (E_RNA)
where:
Base-Base interactions energy: -134.448
where: short stacking energy: -63.599
Base-Backbone interact. energy: -0.006
local terms energy: -58.282906
where:
bonds (distance) C4'-P energy: -7.525
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -15.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -183.961666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.961666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.961666 (E_RNA)
where:
Base-Base interactions energy: -129.834
where: short stacking energy: -59.298
Base-Backbone interact. energy: -0.474
local terms energy: -53.654047
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -6.700
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -12.600
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: 258
Temperature: 1.250000
Total energy: -175.076809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.076809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.076809 (E_RNA)
where:
Base-Base interactions energy: -122.360
where: short stacking energy: -54.104
Base-Backbone interact. energy: -0.274
local terms energy: -52.442841
where:
bonds (distance) C4'-P energy: -9.300
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: -2.930
tors. eta vs tors. theta energy: -14.974
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: 7
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -73.387720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.387720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.387720 (E_RNA)
where:
Base-Base interactions energy: -24.992
where: short stacking energy: -24.992
Base-Backbone interact. energy: -0.078
local terms energy: -48.317399
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -10.876
flat angles C4'-P-C4' energy: -10.430
flat angles P-C4'-P energy: -6.252
tors. eta vs tors. theta energy: -5.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -66.245100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.245100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.245100 (E_RNA)
where:
Base-Base interactions energy: -24.684
where: short stacking energy: -15.577
Base-Backbone interact. energy: -0.129
local terms energy: -41.431801
where:
bonds (distance) C4'-P energy: -8.890
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -10.485
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: 1.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -204.771824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.771824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.771824 (E_RNA)
where:
Base-Base interactions energy: -142.607
where: short stacking energy: -59.436
Base-Backbone interact. energy: -0.055
local terms energy: -62.109798
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -9.023
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -13.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -209.128000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.128000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.128000 (E_RNA)
where:
Base-Base interactions energy: -142.611
where: short stacking energy: -63.036
Base-Backbone interact. energy: -0.063
local terms energy: -66.454853
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -18.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -199.074393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.074393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.074393 (E_RNA)
where:
Base-Base interactions energy: -135.087
where: short stacking energy: -60.228
Base-Backbone interact. energy: -0.000
local terms energy: -63.987518
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -16.646
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: 1
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -202.581875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.581875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.581875 (E_RNA)
where:
Base-Base interactions energy: -136.527
where: short stacking energy: -63.651
Base-Backbone interact. energy: -0.042
local terms energy: -66.012982
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -8.897
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: 5, replica: 5
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -202.789002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.789002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.789002 (E_RNA)
where:
Base-Base interactions energy: -139.670
where: short stacking energy: -56.994
Base-Backbone interact. energy: -0.157
local terms energy: -62.962664
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -12.168
flat angles C4'-P-C4' energy: -9.899
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -16.914
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: 259
Temperature: 1.150000
Total energy: -189.161504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.161504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.161504 (E_RNA)
where:
Base-Base interactions energy: -122.898
where: short stacking energy: -58.056
Base-Backbone interact. energy: -0.501
local terms energy: -65.762521
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -10.640
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -14.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -186.505998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.505998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.505998 (E_RNA)
where:
Base-Base interactions energy: -128.363
where: short stacking energy: -53.426
Base-Backbone interact. energy: -0.283
local terms energy: -57.860518
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -11.045
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -12.047
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: 259
Temperature: 1.250000
Total energy: -167.253314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.253314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.253314 (E_RNA)
where:
Base-Base interactions energy: -114.233
where: short stacking energy: -48.303
Base-Backbone interact. energy: -0.300
local terms energy: -52.720439
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -6.473
tors. eta vs tors. theta energy: -8.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -87.575527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.575527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.575527 (E_RNA)
where:
Base-Base interactions energy: -31.219
where: short stacking energy: -25.766
Base-Backbone interact. energy: -0.508
local terms energy: -55.848135
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -9.260
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: 10, replica: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -68.221474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.221474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.221474 (E_RNA)
where:
Base-Base interactions energy: -34.460
where: short stacking energy: -21.668
Base-Backbone interact. energy: 0.376
local terms energy: -34.137579
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -12.851
flat angles C4'-P-C4' energy: -5.970
flat angles P-C4'-P energy: -2.733
tors. eta vs tors. theta energy: -1.433
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: 1, replica: 9
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -211.054502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.054502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.054502 (E_RNA)
where:
Base-Base interactions energy: -142.695
where: short stacking energy: -60.164
Base-Backbone interact. energy: -0.734
local terms energy: -67.625484
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -15.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -206.364002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.364002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.364002 (E_RNA)
where:
Base-Base interactions energy: -138.671
where: short stacking energy: -67.859
Base-Backbone interact. energy: -0.005
local terms energy: -67.687711
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -11.144
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -18.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -205.013373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.013373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.013373 (E_RNA)
where:
Base-Base interactions energy: -136.527
where: short stacking energy: -65.726
Base-Backbone interact. energy: -0.003
local terms energy: -68.483614
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -18.737
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: 1
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -197.070826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.070826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.070826 (E_RNA)
where:
Base-Base interactions energy: -140.711
where: short stacking energy: -55.313
Base-Backbone interact. energy: -0.633
local terms energy: -55.727073
where:
bonds (distance) C4'-P energy: -7.396
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -12.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -184.906289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.906289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.906289 (E_RNA)
where:
Base-Base interactions energy: -124.944
where: short stacking energy: -52.692
Base-Backbone interact. energy: -0.052
local terms energy: -59.910274
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -8.983
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -12.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -192.234887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.234887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.234887 (E_RNA)
where:
Base-Base interactions energy: -132.886
where: short stacking energy: -58.648
Base-Backbone interact. energy: -0.311
local terms energy: -59.037597
where:
bonds (distance) C4'-P energy: -8.093
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -13.251
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: 7, replica: 8
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -183.403473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.403473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.403473 (E_RNA)
where:
Base-Base interactions energy: -124.735
where: short stacking energy: -48.896
Base-Backbone interact. energy: 0.502
local terms energy: -59.170893
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -11.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -163.391884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.391884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.391884 (E_RNA)
where:
Base-Base interactions energy: -119.228
where: short stacking energy: -47.111
Base-Backbone interact. energy: -0.729
local terms energy: -43.434142
where:
bonds (distance) C4'-P energy: -8.961
bonds (distance) P-C4' energy: -10.443
flat angles C4'-P-C4' energy: -8.573
flat angles P-C4'-P energy: -6.517
tors. eta vs tors. theta energy: -8.941
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: 10
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -68.269840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.269840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.269840 (E_RNA)
where:
Base-Base interactions energy: -25.937
where: short stacking energy: -25.937
Base-Backbone interact. energy: 0.242
local terms energy: -42.574909
where:
bonds (distance) C4'-P energy: -10.119
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -6.371
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: 7
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -67.911260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.911260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.911260 (E_RNA)
where:
Base-Base interactions energy: -30.545
where: short stacking energy: -21.598
Base-Backbone interact. energy: -0.227
local terms energy: -37.139469
where:
bonds (distance) C4'-P energy: -10.463
bonds (distance) P-C4' energy: -10.603
flat angles C4'-P-C4' energy: -7.659
flat angles P-C4'-P energy: -5.868
tors. eta vs tors. theta energy: -2.547
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: 9
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -212.942580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.942580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.942580 (E_RNA)
where:
Base-Base interactions energy: -146.673
where: short stacking energy: -61.772
Base-Backbone interact. energy: -0.158
local terms energy: -66.111781
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -11.537
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -18.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -205.261773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.261773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.261773 (E_RNA)
where:
Base-Base interactions energy: -143.561
where: short stacking energy: -59.862
Base-Backbone interact. energy: -1.302
local terms energy: -60.399347
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -12.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -204.924949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.924949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.924949 (E_RNA)
where:
Base-Base interactions energy: -143.981
where: short stacking energy: -62.182
Base-Backbone interact. energy: -0.225
local terms energy: -60.719357
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -7.426
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -18.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -200.912413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.912413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.912413 (E_RNA)
where:
Base-Base interactions energy: -136.633
where: short stacking energy: -63.505
Base-Backbone interact. energy: -0.578
local terms energy: -63.701159
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -12.280
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -14.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -201.571472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.571472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.571472 (E_RNA)
where:
Base-Base interactions energy: -136.941
where: short stacking energy: -65.885
Base-Backbone interact. energy: -0.503
local terms energy: -64.127502
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -10.940
flat angles P-C4'-P energy: -9.380
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: 6, replica: 8
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -183.750877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.750877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.750877 (E_RNA)
where:
Base-Base interactions energy: -126.960
where: short stacking energy: -56.147
Base-Backbone interact. energy: -0.466
local terms energy: -56.324892
where:
bonds (distance) C4'-P energy: -8.894
bonds (distance) P-C4' energy: -13.594
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -13.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -194.140045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.140045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.140045 (E_RNA)
where:
Base-Base interactions energy: -134.482
where: short stacking energy: -59.626
Base-Backbone interact. energy: -0.285
local terms energy: -59.372822
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -14.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -182.327163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.327163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.327163 (E_RNA)
where:
Base-Base interactions energy: -122.086
where: short stacking energy: -53.956
Base-Backbone interact. energy: -0.002
local terms energy: -60.238676
where:
bonds (distance) C4'-P energy: -10.764
bonds (distance) P-C4' energy: -10.969
flat angles C4'-P-C4' energy: -11.926
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -15.274
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: 10
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -64.280546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.280546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.280546 (E_RNA)
where:
Base-Base interactions energy: -28.799
where: short stacking energy: -28.084
Base-Backbone interact. energy: -0.088
local terms energy: -35.393154
where:
bonds (distance) C4'-P energy: -6.460
bonds (distance) P-C4' energy: -11.392
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -8.550
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: 10, replica: 7
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -70.666619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.666619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.666619 (E_RNA)
where:
Base-Base interactions energy: -22.978
where: short stacking energy: -22.310
Base-Backbone interact. energy: -0.050
local terms energy: -47.638882
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -3.895
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: 6
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -212.773720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.773720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.773720 (E_RNA)
where:
Base-Base interactions energy: -146.374
where: short stacking energy: -58.673
Base-Backbone interact. energy: -0.003
local terms energy: -66.397248
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -15.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -208.282118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.282118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.282118 (E_RNA)
where:
Base-Base interactions energy: -148.529
where: short stacking energy: -59.026
Base-Backbone interact. energy: -0.502
local terms energy: -59.251664
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -10.023
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -4.937
tors. eta vs tors. theta energy: -17.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -203.013760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.013760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.013760 (E_RNA)
where:
Base-Base interactions energy: -137.709
where: short stacking energy: -58.042
Base-Backbone interact. energy: -0.531
local terms energy: -64.773753
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -11.684
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -15.633
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: 3
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -203.922715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.922715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.922715 (E_RNA)
where:
Base-Base interactions energy: -145.920
where: short stacking energy: -56.071
Base-Backbone interact. energy: -0.303
local terms energy: -57.700293
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -9.986
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -12.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -172.223716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.223716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.223716 (E_RNA)
where:
Base-Base interactions energy: -119.137
where: short stacking energy: -50.193
Base-Backbone interact. energy: -0.164
local terms energy: -52.922396
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -10.389
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -9.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -184.413209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.413209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.413209 (E_RNA)
where:
Base-Base interactions energy: -129.522
where: short stacking energy: -60.357
Base-Backbone interact. energy: -0.000
local terms energy: -54.891028
where:
bonds (distance) C4'-P energy: -9.759
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -10.106
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -13.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -185.181170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.181170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.181170 (E_RNA)
where:
Base-Base interactions energy: -126.355
where: short stacking energy: -53.134
Base-Backbone interact. energy: -0.719
local terms energy: -58.106606
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -9.780
flat angles P-C4'-P energy: -7.274
tors. eta vs tors. theta energy: -13.879
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: 5
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -181.562343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.562343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.562343 (E_RNA)
where:
Base-Base interactions energy: -126.855
where: short stacking energy: -50.798
Base-Backbone interact. energy: -0.044
local terms energy: -54.663635
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -9.282
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -11.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -80.762298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.762298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.762298 (E_RNA)
where:
Base-Base interactions energy: -34.252
where: short stacking energy: -34.252
Base-Backbone interact. energy: -0.006
local terms energy: -46.503958
where:
bonds (distance) C4'-P energy: -9.842
bonds (distance) P-C4' energy: -12.346
flat angles C4'-P-C4' energy: -9.479
flat angles P-C4'-P energy: -5.895
tors. eta vs tors. theta energy: -8.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -75.944208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.944208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.944208 (E_RNA)
where:
Base-Base interactions energy: -33.429
where: short stacking energy: -19.710
Base-Backbone interact. energy: -0.222
local terms energy: -42.292795
where:
bonds (distance) C4'-P energy: -9.478
bonds (distance) P-C4' energy: -10.100
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -5.894
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: 1, replica: 6
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -205.578240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.578240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.578240 (E_RNA)
where:
Base-Base interactions energy: -139.678
where: short stacking energy: -59.464
Base-Backbone interact. energy: -0.036
local terms energy: -65.864371
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -17.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -209.735090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.735090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.735090 (E_RNA)
where:
Base-Base interactions energy: -146.486
where: short stacking energy: -57.182
Base-Backbone interact. energy: -0.034
local terms energy: -63.215920
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -10.331
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: 3, replica: 4
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -201.507300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.507300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.507300 (E_RNA)
where:
Base-Base interactions energy: -141.964
where: short stacking energy: -60.521
Base-Backbone interact. energy: -0.042
local terms energy: -59.501524
where:
bonds (distance) C4'-P energy: -7.954
bonds (distance) P-C4' energy: -9.551
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -18.278
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: 263
Temperature: 1.050000
Total energy: -195.617962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.617962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.617962 (E_RNA)
where:
Base-Base interactions energy: -137.234
where: short stacking energy: -54.595
Base-Backbone interact. energy: 0.096
local terms energy: -58.479657
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -9.915
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -12.073
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: 8
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -195.028480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.028480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.028480 (E_RNA)
where:
Base-Base interactions energy: -128.640
where: short stacking energy: -58.036
Base-Backbone interact. energy: -0.627
local terms energy: -65.761715
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -18.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -194.901460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.901460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.901460 (E_RNA)
where:
Base-Base interactions energy: -133.589
where: short stacking energy: -58.186
Base-Backbone interact. energy: -0.197
local terms energy: -61.115745
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -9.154
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -17.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -174.097722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.097722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.097722 (E_RNA)
where:
Base-Base interactions energy: -121.163
where: short stacking energy: -47.295
Base-Backbone interact. energy: -0.186
local terms energy: -52.747842
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -13.330
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -6.627
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: 8, replica: 5
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -184.564498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.564498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.564498 (E_RNA)
where:
Base-Base interactions energy: -124.535
where: short stacking energy: -60.318
Base-Backbone interact. energy: -0.216
local terms energy: -59.813526
where:
bonds (distance) C4'-P energy: -12.254
bonds (distance) P-C4' energy: -6.558
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -18.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -88.251704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.251704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.251704 (E_RNA)
where:
Base-Base interactions energy: -30.957
where: short stacking energy: -30.957
Base-Backbone interact. energy: -0.131
local terms energy: -57.162887
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -6.876
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: 10, replica: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -71.971353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.971353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.971353 (E_RNA)
where:
Base-Base interactions energy: -35.997
where: short stacking energy: -22.588
Base-Backbone interact. energy: 0.140
local terms energy: -36.114215
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -6.642
flat angles C4'-P-C4' energy: -8.516
flat angles P-C4'-P energy: -5.404
tors. eta vs tors. theta energy: -2.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -212.144311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.144311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.144311 (E_RNA)
where:
Base-Base interactions energy: -144.404
where: short stacking energy: -67.498
Base-Backbone interact. energy: -1.052
local terms energy: -66.688112
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -17.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -206.667645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.667645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.667645 (E_RNA)
where:
Base-Base interactions energy: -139.670
where: short stacking energy: -62.406
Base-Backbone interact. energy: -0.069
local terms energy: -66.928570
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -11.026
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -17.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -207.513608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.513608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.513608 (E_RNA)
where:
Base-Base interactions energy: -144.831
where: short stacking energy: -65.636
Base-Backbone interact. energy: -0.004
local terms energy: -62.678164
where:
bonds (distance) C4'-P energy: -8.958
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -16.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -202.866466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.866466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.866466 (E_RNA)
where:
Base-Base interactions energy: -139.260
where: short stacking energy: -67.918
Base-Backbone interact. energy: -0.232
local terms energy: -63.374489
where:
bonds (distance) C4'-P energy: -10.899
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -17.209
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: 2
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -199.743944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.743944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.743944 (E_RNA)
where:
Base-Base interactions energy: -137.745
where: short stacking energy: -63.043
Base-Backbone interact. energy: -1.226
local terms energy: -60.773154
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -5.619
tors. eta vs tors. theta energy: -17.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -184.710424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.710424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.710424 (E_RNA)
where:
Base-Base interactions energy: -129.684
where: short stacking energy: -51.316
Base-Backbone interact. energy: -0.503
local terms energy: -54.523150
where:
bonds (distance) C4'-P energy: -7.586
bonds (distance) P-C4' energy: -9.852
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -14.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -195.144257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.144257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.144257 (E_RNA)
where:
Base-Base interactions energy: -130.568
where: short stacking energy: -58.651
Base-Backbone interact. energy: 0.182
local terms energy: -64.758572
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -15.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -181.449285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.449285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.449285 (E_RNA)
where:
Base-Base interactions energy: -122.306
where: short stacking energy: -51.224
Base-Backbone interact. energy: -0.056
local terms energy: -59.087334
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -10.805
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -11.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -85.409760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.409760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.409760 (E_RNA)
where:
Base-Base interactions energy: -43.913
where: short stacking energy: -31.764
Base-Backbone interact. energy: -0.568
local terms energy: -40.929557
where:
bonds (distance) C4'-P energy: -8.935
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -9.578
flat angles P-C4'-P energy: -6.212
tors. eta vs tors. theta energy: -2.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -74.026560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.026560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.026560 (E_RNA)
where:
Base-Base interactions energy: -27.449
where: short stacking energy: -26.576
Base-Backbone interact. energy: -0.054
local terms energy: -46.522901
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -8.209
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -4.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -207.541421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.541421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.541421 (E_RNA)
where:
Base-Base interactions energy: -135.218
where: short stacking energy: -61.023
Base-Backbone interact. energy: -0.496
local terms energy: -71.827752
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -16.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -208.309646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.309646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.309646 (E_RNA)
where:
Base-Base interactions energy: -140.272
where: short stacking energy: -69.170
Base-Backbone interact. energy: -0.028
local terms energy: -68.009434
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -11.653
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -10.431
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: 3, replica: 9
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -209.688548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.688548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.688548 (E_RNA)
where:
Base-Base interactions energy: -146.411
where: short stacking energy: -63.727
Base-Backbone interact. energy: -0.000
local terms energy: -63.276728
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -18.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -202.925467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.925467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.925467 (E_RNA)
where:
Base-Base interactions energy: -136.437
where: short stacking energy: -64.389
Base-Backbone interact. energy: -0.695
local terms energy: -65.793230
where:
bonds (distance) C4'-P energy: -9.893
bonds (distance) P-C4' energy: -10.933
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -19.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -199.752855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.752855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.752855 (E_RNA)
where:
Base-Base interactions energy: -140.443
where: short stacking energy: -57.699
Base-Backbone interact. energy: -0.577
local terms energy: -58.732919
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -7.212
tors. eta vs tors. theta energy: -14.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -199.833808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.833808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.833808 (E_RNA)
where:
Base-Base interactions energy: -139.852
where: short stacking energy: -63.040
Base-Backbone interact. energy: 0.063
local terms energy: -60.044550
where:
bonds (distance) C4'-P energy: -8.803
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -15.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -163.984646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.984646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.984646 (E_RNA)
where:
Base-Base interactions energy: -104.378
where: short stacking energy: -42.621
Base-Backbone interact. energy: -0.051
local terms energy: -59.555597
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -5.936
tors. eta vs tors. theta energy: -13.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -190.565513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.565513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.565513 (E_RNA)
where:
Base-Base interactions energy: -129.461
where: short stacking energy: -58.340
Base-Backbone interact. energy: -0.000
local terms energy: -61.104755
where:
bonds (distance) C4'-P energy: -9.814
bonds (distance) P-C4' energy: -10.784
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -16.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -118.102257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.102257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.102257 (E_RNA)
where:
Base-Base interactions energy: -76.561
where: short stacking energy: -23.898
Base-Backbone interact. energy: -0.085
local terms energy: -41.455801
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -8.042
flat angles P-C4'-P energy: -3.349
tors. eta vs tors. theta energy: -1.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -68.028392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.028392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.028392 (E_RNA)
where:
Base-Base interactions energy: -29.195
where: short stacking energy: -26.395
Base-Backbone interact. energy: -0.138
local terms energy: -38.695142
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -8.275
flat angles C4'-P-C4' energy: -4.413
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -5.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -216.772994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.772994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.772994 (E_RNA)
where:
Base-Base interactions energy: -147.294
where: short stacking energy: -65.690
Base-Backbone interact. energy: -0.000
local terms energy: -69.479070
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -19.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -211.726018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.726018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.726018 (E_RNA)
where:
Base-Base interactions energy: -145.570
where: short stacking energy: -62.316
Base-Backbone interact. energy: -1.150
local terms energy: -65.005134
where:
bonds (distance) C4'-P energy: -8.513
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -19.552
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: 2
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -196.752941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.752941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.752941 (E_RNA)
where:
Base-Base interactions energy: -133.849
where: short stacking energy: -65.688
Base-Backbone interact. energy: -0.068
local terms energy: -62.835565
where:
bonds (distance) C4'-P energy: -11.452
bonds (distance) P-C4' energy: -12.287
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -17.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -187.041567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.041567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.041567 (E_RNA)
where:
Base-Base interactions energy: -128.532
where: short stacking energy: -58.660
Base-Backbone interact. energy: -0.181
local terms energy: -58.328667
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -11.689
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -11.005
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: 5, replica: 4
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -191.503514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.503514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.503514 (E_RNA)
where:
Base-Base interactions energy: -131.121
where: short stacking energy: -55.895
Base-Backbone interact. energy: -0.502
local terms energy: -59.880556
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -10.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -183.429131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.429131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.429131 (E_RNA)
where:
Base-Base interactions energy: -120.414
where: short stacking energy: -56.109
Base-Backbone interact. energy: -0.086
local terms energy: -62.928944
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -5.342
tors. eta vs tors. theta energy: -15.348
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: 1
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -194.198745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.198745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.198745 (E_RNA)
where:
Base-Base interactions energy: -135.669
where: short stacking energy: -59.354
Base-Backbone interact. energy: -0.004
local terms energy: -58.525488
where:
bonds (distance) C4'-P energy: -7.013
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -14.823
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: 8, replica: 8
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -159.651121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.651121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.651121 (E_RNA)
where:
Base-Base interactions energy: -102.506
where: short stacking energy: -47.584
Base-Backbone interact. energy: -0.001
local terms energy: -57.144536
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -8.944
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -11.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -73.472550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.472550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.472550 (E_RNA)
where:
Base-Base interactions energy: -30.223
where: short stacking energy: -28.861
Base-Backbone interact. energy: -0.469
local terms energy: -42.780737
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -8.566
flat angles P-C4'-P energy: -4.586
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: 10
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -74.278119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.278119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.278119 (E_RNA)
where:
Base-Base interactions energy: -31.406
where: short stacking energy: -31.406
Base-Backbone interact. energy: -0.156
local terms energy: -42.716413
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -10.263
flat angles C4'-P-C4' energy: -8.175
flat angles P-C4'-P energy: -5.506
tors. eta vs tors. theta energy: -6.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -214.591162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.591162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.591162 (E_RNA)
where:
Base-Base interactions energy: -145.210
where: short stacking energy: -70.686
Base-Backbone interact. energy: -0.042
local terms energy: -69.339003
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -13.139
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -17.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -216.471952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.471952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.471952 (E_RNA)
where:
Base-Base interactions energy: -149.810
where: short stacking energy: -61.788
Base-Backbone interact. energy: -0.486
local terms energy: -66.175407
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -9.918
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: 3, replica: 6
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -208.831835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.831835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.831835 (E_RNA)
where:
Base-Base interactions energy: -141.744
where: short stacking energy: -67.262
Base-Backbone interact. energy: -0.019
local terms energy: -67.069340
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -9.410
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: 4, replica: 4
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -200.084081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.084081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.084081 (E_RNA)
where:
Base-Base interactions energy: -129.937
where: short stacking energy: -58.387
Base-Backbone interact. energy: -0.321
local terms energy: -69.826141
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -17.450
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: 5, replica: 9
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -188.766194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.766194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.766194 (E_RNA)
where:
Base-Base interactions energy: -126.753
where: short stacking energy: -59.347
Base-Backbone interact. energy: -0.021
local terms energy: -61.991557
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -15.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -195.993312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.993312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.993312 (E_RNA)
where:
Base-Base interactions energy: -127.806
where: short stacking energy: -54.286
Base-Backbone interact. energy: -0.053
local terms energy: -68.135258
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -17.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -191.442550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.442550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.442550 (E_RNA)
where:
Base-Base interactions energy: -138.944
where: short stacking energy: -55.306
Base-Backbone interact. energy: -0.142
local terms energy: -52.356932
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -7.737
flat angles C4'-P-C4' energy: -7.948
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: -15.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -151.840137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.840137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.840137 (E_RNA)
where:
Base-Base interactions energy: -96.164
where: short stacking energy: -46.604
Base-Backbone interact. energy: -0.938
local terms energy: -54.737991
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -13.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -73.826137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.826137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.826137 (E_RNA)
where:
Base-Base interactions energy: -36.352
where: short stacking energy: -33.815
Base-Backbone interact. energy: 1.069
local terms energy: -38.543065
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -9.747
flat angles P-C4'-P energy: -0.907
tors. eta vs tors. theta energy: -4.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -73.203247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.203247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.203247 (E_RNA)
where:
Base-Base interactions energy: -31.400
where: short stacking energy: -18.270
Base-Backbone interact. energy: -0.155
local terms energy: -41.647438
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -8.426
flat angles P-C4'-P energy: -4.596
tors. eta vs tors. theta energy: -2.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -214.511519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.511519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.511519 (E_RNA)
where:
Base-Base interactions energy: -143.008
where: short stacking energy: -68.642
Base-Backbone interact. energy: -0.186
local terms energy: -71.317993
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -18.663
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: 2
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -209.284348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.284348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.284348 (E_RNA)
where:
Base-Base interactions energy: -141.175
where: short stacking energy: -60.073
Base-Backbone interact. energy: 0.046
local terms energy: -68.155735
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -15.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -209.330399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.330399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.330399 (E_RNA)
where:
Base-Base interactions energy: -139.122
where: short stacking energy: -65.887
Base-Backbone interact. energy: -0.489
local terms energy: -69.719482
where:
bonds (distance) C4'-P energy: -10.738
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -19.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -201.644599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.644599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.644599 (E_RNA)
where:
Base-Base interactions energy: -138.190
where: short stacking energy: -66.483
Base-Backbone interact. energy: -0.002
local terms energy: -63.452670
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -11.009
flat angles C4'-P-C4' energy: -10.917
flat angles P-C4'-P energy: -12.298
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: 1
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -195.654966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.654966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.654966 (E_RNA)
where:
Base-Base interactions energy: -133.586
where: short stacking energy: -61.378
Base-Backbone interact. energy: -0.066
local terms energy: -62.002673
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -12.449
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -15.892
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: 9
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -201.263868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.263868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.263868 (E_RNA)
where:
Base-Base interactions energy: -135.749
where: short stacking energy: -61.316
Base-Backbone interact. energy: -0.092
local terms energy: -65.422892
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -16.332
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: 5
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -187.957993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.957993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.957993 (E_RNA)
where:
Base-Base interactions energy: -131.371
where: short stacking energy: -51.828
Base-Backbone interact. energy: -0.147
local terms energy: -56.440308
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -10.827
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -10.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -186.904900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.904900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.904900 (E_RNA)
where:
Base-Base interactions energy: -130.698
where: short stacking energy: -51.650
Base-Backbone interact. energy: -0.018
local terms energy: -56.189102
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -5.692
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -7.747
tors. eta vs tors. theta energy: -16.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -75.100060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.100060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.100060 (E_RNA)
where:
Base-Base interactions energy: -36.154
where: short stacking energy: -19.602
Base-Backbone interact. energy: -0.121
local terms energy: -38.824609
where:
bonds (distance) C4'-P energy: -8.517
bonds (distance) P-C4' energy: -11.370
flat angles C4'-P-C4' energy: -7.725
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -0.780
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: 7
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -76.284360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.284360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.284360 (E_RNA)
where:
Base-Base interactions energy: -34.530
where: short stacking energy: -30.265
Base-Backbone interact. energy: -0.033
local terms energy: -41.720749
where:
bonds (distance) C4'-P energy: -5.516
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -11.153
flat angles P-C4'-P energy: -6.966
tors. eta vs tors. theta energy: -3.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -215.396886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.396886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.396886 (E_RNA)
where:
Base-Base interactions energy: -143.290
where: short stacking energy: -68.839
Base-Backbone interact. energy: -1.141
local terms energy: -70.965171
where:
bonds (distance) C4'-P energy: -13.161
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -8.875
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: 2, replica: 6
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -206.412561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.412561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.412561 (E_RNA)
where:
Base-Base interactions energy: -138.870
where: short stacking energy: -68.296
Base-Backbone interact. energy: -0.000
local terms energy: -67.541667
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -17.478
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: 3, replica: 2
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -201.755948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.755948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.755948 (E_RNA)
where:
Base-Base interactions energy: -133.907
where: short stacking energy: -60.718
Base-Backbone interact. energy: -0.612
local terms energy: -67.236549
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -16.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -193.515784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.515784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.515784 (E_RNA)
where:
Base-Base interactions energy: -131.815
where: short stacking energy: -52.155
Base-Backbone interact. energy: -0.029
local terms energy: -61.671439
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -11.084
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -15.205
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: 5, replica: 4
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -197.705533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.705533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.705533 (E_RNA)
where:
Base-Base interactions energy: -133.015
where: short stacking energy: -65.432
Base-Backbone interact. energy: -0.007
local terms energy: -64.683081
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -12.744
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -15.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -191.494057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.494057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.494057 (E_RNA)
where:
Base-Base interactions energy: -131.724
where: short stacking energy: -51.139
Base-Backbone interact. energy: 0.097
local terms energy: -59.867013
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -11.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -190.028882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.028882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.028882 (E_RNA)
where:
Base-Base interactions energy: -133.252
where: short stacking energy: -54.404
Base-Backbone interact. energy: -0.004
local terms energy: -56.772605
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -9.634
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -13.851
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: 8
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -183.184423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.184423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.184423 (E_RNA)
where:
Base-Base interactions energy: -129.095
where: short stacking energy: -59.188
Base-Backbone interact. energy: 0.942
local terms energy: -55.032238
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -8.040
flat angles C4'-P-C4' energy: -10.031
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -15.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -74.779452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.779452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.779452 (E_RNA)
where:
Base-Base interactions energy: -26.019
where: short stacking energy: -26.019
Base-Backbone interact. energy: -0.177
local terms energy: -48.584070
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -3.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -81.041580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.041580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.041580 (E_RNA)
where:
Base-Base interactions energy: -36.832
where: short stacking energy: -24.448
Base-Backbone interact. energy: -0.138
local terms energy: -44.071572
where:
bonds (distance) C4'-P energy: -8.757
bonds (distance) P-C4' energy: -6.931
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -6.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -215.625816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.625816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.625816 (E_RNA)
where:
Base-Base interactions energy: -141.566
where: short stacking energy: -61.522
Base-Backbone interact. energy: -0.001
local terms energy: -74.058903
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -17.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -206.817673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.817673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.817673 (E_RNA)
where:
Base-Base interactions energy: -140.359
where: short stacking energy: -59.965
Base-Backbone interact. energy: -0.532
local terms energy: -65.927030
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -16.678
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: 1
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -208.354395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.354395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.354395 (E_RNA)
where:
Base-Base interactions energy: -141.798
where: short stacking energy: -58.733
Base-Backbone interact. energy: -0.102
local terms energy: -66.453956
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -13.388
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -13.984
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: 2
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -202.350107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.350107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.350107 (E_RNA)
where:
Base-Base interactions energy: -139.946
where: short stacking energy: -64.997
Base-Backbone interact. energy: -0.643
local terms energy: -61.760751
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -11.332
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -18.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -204.294319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.294319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.294319 (E_RNA)
where:
Base-Base interactions energy: -139.567
where: short stacking energy: -66.865
Base-Backbone interact. energy: -0.000
local terms energy: -64.727712
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -5.363
tors. eta vs tors. theta energy: -20.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -188.228456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.228456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.228456 (E_RNA)
where:
Base-Base interactions energy: -126.871
where: short stacking energy: -53.984
Base-Backbone interact. energy: -0.274
local terms energy: -61.083100
where:
bonds (distance) C4'-P energy: -9.338
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -14.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -187.257395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.257395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.257395 (E_RNA)
where:
Base-Base interactions energy: -129.166
where: short stacking energy: -55.919
Base-Backbone interact. energy: 0.712
local terms energy: -58.803184
where:
bonds (distance) C4'-P energy: -7.926
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -15.383
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: 8
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -183.328136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.328136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.328136 (E_RNA)
where:
Base-Base interactions energy: -124.605
where: short stacking energy: -56.504
Base-Backbone interact. energy: -0.096
local terms energy: -58.626969
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -9.038
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: 9, replica: 7
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -75.304159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.304159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.304159 (E_RNA)
where:
Base-Base interactions energy: -30.214
where: short stacking energy: -29.936
Base-Backbone interact. energy: 0.259
local terms energy: -45.348508
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: -2.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -76.449624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.449624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.449624 (E_RNA)
where:
Base-Base interactions energy: -34.176
where: short stacking energy: -28.707
Base-Backbone interact. energy: -0.041
local terms energy: -42.232619
where:
bonds (distance) C4'-P energy: -7.115
bonds (distance) P-C4' energy: -12.550
flat angles C4'-P-C4' energy: -10.119
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: -6.692
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: 3
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -210.453019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.453019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.453019 (E_RNA)
where:
Base-Base interactions energy: -143.461
where: short stacking energy: -63.877
Base-Backbone interact. energy: -0.148
local terms energy: -66.843621
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -18.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -207.278884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.278884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.278884 (E_RNA)
where:
Base-Base interactions energy: -138.740
where: short stacking energy: -66.883
Base-Backbone interact. energy: -0.003
local terms energy: -68.536532
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -9.211
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: 3, replica: 6
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -203.479900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.479900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.479900 (E_RNA)
where:
Base-Base interactions energy: -140.791
where: short stacking energy: -62.214
Base-Backbone interact. energy: -0.746
local terms energy: -61.943199
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -8.976
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -15.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -194.732697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.732697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.732697 (E_RNA)
where:
Base-Base interactions energy: -121.721
where: short stacking energy: -57.395
Base-Backbone interact. energy: -0.043
local terms energy: -72.968978
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -18.636
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: 2
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -200.118408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.118408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.118408 (E_RNA)
where:
Base-Base interactions energy: -135.420
where: short stacking energy: -64.262
Base-Backbone interact. energy: -0.304
local terms energy: -64.394827
where:
bonds (distance) C4'-P energy: -8.985
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -17.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -196.584196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.584196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.584196 (E_RNA)
where:
Base-Base interactions energy: -134.702
where: short stacking energy: -66.197
Base-Backbone interact. energy: -0.000
local terms energy: -61.882033
where:
bonds (distance) C4'-P energy: -9.697
bonds (distance) P-C4' energy: -12.655
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -17.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -190.872452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.872452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.872452 (E_RNA)
where:
Base-Base interactions energy: -134.468
where: short stacking energy: -58.519
Base-Backbone interact. energy: -0.059
local terms energy: -56.345508
where:
bonds (distance) C4'-P energy: -11.013
bonds (distance) P-C4' energy: -11.569
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -6.093
tors. eta vs tors. theta energy: -14.588
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: 8
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -179.359310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.359310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.359310 (E_RNA)
where:
Base-Base interactions energy: -130.530
where: short stacking energy: -50.193
Base-Backbone interact. energy: -0.041
local terms energy: -48.788261
where:
bonds (distance) C4'-P energy: -6.893
bonds (distance) P-C4' energy: -10.853
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -10.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -83.125783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.125783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.125783 (E_RNA)
where:
Base-Base interactions energy: -34.680
where: short stacking energy: -20.270
Base-Backbone interact. energy: -0.121
local terms energy: -48.324739
where:
bonds (distance) C4'-P energy: -9.383
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -1.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -70.779608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.779608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.779608 (E_RNA)
where:
Base-Base interactions energy: -38.767
where: short stacking energy: -16.980
Base-Backbone interact. energy: -0.515
local terms energy: -31.497606
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -2.765
flat angles P-C4'-P energy: -2.703
tors. eta vs tors. theta energy: 1.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -211.545489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.545489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.545489 (E_RNA)
where:
Base-Base interactions energy: -144.074
where: short stacking energy: -69.042
Base-Backbone interact. energy: -0.040
local terms energy: -67.431038
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -10.637
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -16.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -208.132561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.132561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.132561 (E_RNA)
where:
Base-Base interactions energy: -147.602
where: short stacking energy: -58.962
Base-Backbone interact. energy: -0.024
local terms energy: -60.506400
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -6.175
tors. eta vs tors. theta energy: -14.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -206.742486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.742486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.742486 (E_RNA)
where:
Base-Base interactions energy: -140.073
where: short stacking energy: -64.381
Base-Backbone interact. energy: -0.001
local terms energy: -66.668016
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -18.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -201.661897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.661897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.661897 (E_RNA)
where:
Base-Base interactions energy: -137.535
where: short stacking energy: -59.420
Base-Backbone interact. energy: -0.068
local terms energy: -64.058555
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -16.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -201.289751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.289751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.289751 (E_RNA)
where:
Base-Base interactions energy: -130.984
where: short stacking energy: -59.027
Base-Backbone interact. energy: 0.120
local terms energy: -70.424935
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -17.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -194.360925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.360925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.360925 (E_RNA)
where:
Base-Base interactions energy: -134.115
where: short stacking energy: -61.681
Base-Backbone interact. energy: -0.006
local terms energy: -60.239909
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -10.913
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -15.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -192.213619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.213619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.213619 (E_RNA)
where:
Base-Base interactions energy: -129.788
where: short stacking energy: -54.922
Base-Backbone interact. energy: -0.567
local terms energy: -61.858624
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -13.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -172.404015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.404015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.404015 (E_RNA)
where:
Base-Base interactions energy: -122.016
where: short stacking energy: -51.887
Base-Backbone interact. energy: -0.219
local terms energy: -50.169257
where:
bonds (distance) C4'-P energy: -9.035
bonds (distance) P-C4' energy: -8.928
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -12.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -73.219889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.219889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.219889 (E_RNA)
where:
Base-Base interactions energy: -27.632
where: short stacking energy: -19.419
Base-Backbone interact. energy: -0.140
local terms energy: -45.447278
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -10.400
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: -2.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -68.970337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.970337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.970337 (E_RNA)
where:
Base-Base interactions energy: -24.599
where: short stacking energy: -24.078
Base-Backbone interact. energy: -0.145
local terms energy: -44.225639
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -10.162
flat angles C4'-P-C4' energy: -8.790
flat angles P-C4'-P energy: -6.198
tors. eta vs tors. theta energy: -5.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -213.845039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.845039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.845039 (E_RNA)
where:
Base-Base interactions energy: -142.252
where: short stacking energy: -69.439
Base-Backbone interact. energy: -0.010
local terms energy: -71.583585
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -18.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -211.310192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.310192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.310192 (E_RNA)
where:
Base-Base interactions energy: -138.089
where: short stacking energy: -65.231
Base-Backbone interact. energy: -1.627
local terms energy: -71.593744
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -19.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -209.210259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.210259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.210259 (E_RNA)
where:
Base-Base interactions energy: -146.119
where: short stacking energy: -60.951
Base-Backbone interact. energy: -0.770
local terms energy: -62.320985
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: -16.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -204.038758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.038758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.038758 (E_RNA)
where:
Base-Base interactions energy: -141.504
where: short stacking energy: -66.802
Base-Backbone interact. energy: -0.206
local terms energy: -62.328835
where:
bonds (distance) C4'-P energy: -9.427
bonds (distance) P-C4' energy: -9.689
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -20.073
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: 273
Temperature: 1.100000
Total energy: -202.156732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.156732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.156732 (E_RNA)
where:
Base-Base interactions energy: -135.327
where: short stacking energy: -66.632
Base-Backbone interact. energy: -0.001
local terms energy: -66.827851
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -17.165
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: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -179.219583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.219583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.219583 (E_RNA)
where:
Base-Base interactions energy: -135.709
where: short stacking energy: -57.574
Base-Backbone interact. energy: -0.032
local terms energy: -43.478291
where:
bonds (distance) C4'-P energy: -2.943
bonds (distance) P-C4' energy: -10.951
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -4.357
tors. eta vs tors. theta energy: -11.104
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: 2
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -196.362185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.362185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.362185 (E_RNA)
where:
Base-Base interactions energy: -135.578
where: short stacking energy: -62.305
Base-Backbone interact. energy: -0.027
local terms energy: -60.757402
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -9.701
flat angles P-C4'-P energy: -5.899
tors. eta vs tors. theta energy: -19.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -164.894361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.894361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.894361 (E_RNA)
where:
Base-Base interactions energy: -112.096
where: short stacking energy: -57.584
Base-Backbone interact. energy: -0.179
local terms energy: -52.618910
where:
bonds (distance) C4'-P energy: -9.308
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -9.101
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -14.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -71.985619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.985619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.985619 (E_RNA)
where:
Base-Base interactions energy: -37.387
where: short stacking energy: -18.439
Base-Backbone interact. energy: -0.164
local terms energy: -34.434810
where:
bonds (distance) C4'-P energy: -9.002
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -5.876
flat angles P-C4'-P energy: -1.848
tors. eta vs tors. theta energy: -3.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -72.971751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.971751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.971751 (E_RNA)
where:
Base-Base interactions energy: -28.204
where: short stacking energy: -28.174
Base-Backbone interact. energy: -0.358
local terms energy: -44.409741
where:
bonds (distance) C4'-P energy: -6.246
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -9.937
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -3.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -212.535444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.535444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.535444 (E_RNA)
where:
Base-Base interactions energy: -139.155
where: short stacking energy: -58.475
Base-Backbone interact. energy: -0.345
local terms energy: -73.035157
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -18.541
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: 4
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -210.465144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.465144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.465144 (E_RNA)
where:
Base-Base interactions energy: -149.732
where: short stacking energy: -60.338
Base-Backbone interact. energy: -0.870
local terms energy: -59.863443
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -12.411
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -13.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -207.370973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.370973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.370973 (E_RNA)
where:
Base-Base interactions energy: -142.041
where: short stacking energy: -65.064
Base-Backbone interact. energy: -0.013
local terms energy: -65.316966
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -14.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -203.069549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.069549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.069549 (E_RNA)
where:
Base-Base interactions energy: -138.727
where: short stacking energy: -55.785
Base-Backbone interact. energy: -0.012
local terms energy: -64.330134
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -14.968
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: 274
Temperature: 1.100000
Total energy: -200.037895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.037895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.037895 (E_RNA)
where:
Base-Base interactions energy: -137.869
where: short stacking energy: -66.123
Base-Backbone interact. energy: -0.001
local terms energy: -62.168386
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -11.598
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -6.363
tors. eta vs tors. theta energy: -16.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -198.084942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.084942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.084942 (E_RNA)
where:
Base-Base interactions energy: -134.440
where: short stacking energy: -63.907
Base-Backbone interact. energy: -0.587
local terms energy: -63.058260
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -12.189
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -17.658
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: 7, replica: 8
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -143.740113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.740113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.740113 (E_RNA)
where:
Base-Base interactions energy: -92.936
where: short stacking energy: -37.369
Base-Backbone interact. energy: -0.074
local terms energy: -50.730051
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -9.583
flat angles C4'-P-C4' energy: -8.232
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -10.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -188.852963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.852963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.852963 (E_RNA)
where:
Base-Base interactions energy: -134.370
where: short stacking energy: -57.177
Base-Backbone interact. energy: -0.873
local terms energy: -53.609831
where:
bonds (distance) C4'-P energy: -8.339
bonds (distance) P-C4' energy: -9.839
flat angles C4'-P-C4' energy: -10.615
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -14.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -69.073820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.073820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.073820 (E_RNA)
where:
Base-Base interactions energy: -26.468
where: short stacking energy: -26.468
Base-Backbone interact. energy: -0.031
local terms energy: -42.574764
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -6.572
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -2.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -72.608980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.608980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.608980 (E_RNA)
where:
Base-Base interactions energy: -32.402
where: short stacking energy: -32.402
Base-Backbone interact. energy: -0.098
local terms energy: -40.109508
where:
bonds (distance) C4'-P energy: -5.213
bonds (distance) P-C4' energy: -8.387
flat angles C4'-P-C4' energy: -11.188
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -6.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -209.160510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.160510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.160510 (E_RNA)
where:
Base-Base interactions energy: -147.289
where: short stacking energy: -48.367
Base-Backbone interact. energy: -0.124
local terms energy: -61.747618
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -10.836
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -14.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -209.172041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.172041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.172041 (E_RNA)
where:
Base-Base interactions energy: -145.979
where: short stacking energy: -60.918
Base-Backbone interact. energy: -1.245
local terms energy: -61.947510
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -10.539
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -15.817
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: 9
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -208.020540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.020540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.020540 (E_RNA)
where:
Base-Base interactions energy: -142.744
where: short stacking energy: -65.846
Base-Backbone interact. energy: -0.000
local terms energy: -65.276726
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -11.496
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -18.335
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: 275
Temperature: 1.050000
Total energy: -195.751434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.751434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.751434 (E_RNA)
where:
Base-Base interactions energy: -131.370
where: short stacking energy: -55.891
Base-Backbone interact. energy: -0.019
local terms energy: -64.362493
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -9.944
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: 5, replica: 5
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -199.848818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.848818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.848818 (E_RNA)
where:
Base-Base interactions energy: -140.158
where: short stacking energy: -63.972
Base-Backbone interact. energy: -0.002
local terms energy: -59.689316
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -10.365
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -6.316
tors. eta vs tors. theta energy: -17.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -200.969252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.969252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.969252 (E_RNA)
where:
Base-Base interactions energy: -136.988
where: short stacking energy: -65.858
Base-Backbone interact. energy: -0.578
local terms energy: -63.403443
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -9.453
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -18.420
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: 6
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -201.086319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.086319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.086319 (E_RNA)
where:
Base-Base interactions energy: -135.482
where: short stacking energy: -63.749
Base-Backbone interact. energy: -0.281
local terms energy: -65.323692
where:
bonds (distance) C4'-P energy: -9.111
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -12.744
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -20.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -179.868694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.868694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.868694 (E_RNA)
where:
Base-Base interactions energy: -122.926
where: short stacking energy: -52.542
Base-Backbone interact. energy: -0.745
local terms energy: -56.196928
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -12.869
flat angles C4'-P-C4' energy: -10.837
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -12.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -78.988634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.988634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.988634 (E_RNA)
where:
Base-Base interactions energy: -34.122
where: short stacking energy: -32.301
Base-Backbone interact. energy: -0.153
local terms energy: -44.713772
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -7.762
flat angles P-C4'-P energy: -6.425
tors. eta vs tors. theta energy: -5.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -69.698370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.698370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.698370 (E_RNA)
where:
Base-Base interactions energy: -22.313
where: short stacking energy: -22.313
Base-Backbone interact. energy: -0.192
local terms energy: -47.192750
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -3.395
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: 1, replica: 4
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -206.436652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.436652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.436652 (E_RNA)
where:
Base-Base interactions energy: -136.662
where: short stacking energy: -64.478
Base-Backbone interact. energy: -0.575
local terms energy: -69.199025
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -11.530
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -19.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -206.333617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.333617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.333617 (E_RNA)
where:
Base-Base interactions energy: -140.839
where: short stacking energy: -61.789
Base-Backbone interact. energy: -0.000
local terms energy: -65.493887
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -15.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -199.895655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.895655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.895655 (E_RNA)
where:
Base-Base interactions energy: -136.748
where: short stacking energy: -66.564
Base-Backbone interact. energy: -0.004
local terms energy: -63.143747
where:
bonds (distance) C4'-P energy: -8.942
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -15.937
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: 9
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -199.027065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.027065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.027065 (E_RNA)
where:
Base-Base interactions energy: -140.274
where: short stacking energy: -60.409
Base-Backbone interact. energy: -0.504
local terms energy: -58.249467
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -11.141
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -6.396
tors. eta vs tors. theta energy: -14.577
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: 8
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -197.719207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.719207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.719207 (E_RNA)
where:
Base-Base interactions energy: -134.681
where: short stacking energy: -54.832
Base-Backbone interact. energy: -0.662
local terms energy: -62.376180
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -15.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -195.310244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.310244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.310244 (E_RNA)
where:
Base-Base interactions energy: -134.182
where: short stacking energy: -63.775
Base-Backbone interact. energy: -0.488
local terms energy: -60.639913
where:
bonds (distance) C4'-P energy: -6.936
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -18.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -179.536654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.536654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.536654 (E_RNA)
where:
Base-Base interactions energy: -119.269
where: short stacking energy: -48.967
Base-Backbone interact. energy: -0.736
local terms energy: -59.532225
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -11.637
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -13.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -182.934313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.934313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.934313 (E_RNA)
where:
Base-Base interactions energy: -120.676
where: short stacking energy: -52.053
Base-Backbone interact. energy: -0.391
local terms energy: -61.867661
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -11.810
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: 10
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -71.042638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.042638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.042638 (E_RNA)
where:
Base-Base interactions energy: -25.015
where: short stacking energy: -19.563
Base-Backbone interact. energy: -0.042
local terms energy: -45.985976
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -0.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -73.361121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.361121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.361121 (E_RNA)
where:
Base-Base interactions energy: -34.538
where: short stacking energy: -23.342
Base-Backbone interact. energy: 1.982
local terms energy: -40.805845
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -6.989
flat angles P-C4'-P energy: -5.651
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: 1, replica: 4
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -217.206856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.206856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.206856 (E_RNA)
where:
Base-Base interactions energy: -147.029
where: short stacking energy: -63.824
Base-Backbone interact. energy: -0.000
local terms energy: -70.177149
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -17.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -214.571229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.571229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.571229 (E_RNA)
where:
Base-Base interactions energy: -141.038
where: short stacking energy: -65.856
Base-Backbone interact. energy: -0.853
local terms energy: -72.679900
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -19.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -210.543317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.543317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.543317 (E_RNA)
where:
Base-Base interactions energy: -141.780
where: short stacking energy: -62.272
Base-Backbone interact. energy: -0.006
local terms energy: -68.757478
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -17.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -203.270415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.270415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.270415 (E_RNA)
where:
Base-Base interactions energy: -140.835
where: short stacking energy: -61.999
Base-Backbone interact. energy: -1.669
local terms energy: -60.765484
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -10.326
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -16.462
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: 9
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -193.961219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.961219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.961219 (E_RNA)
where:
Base-Base interactions energy: -131.973
where: short stacking energy: -58.087
Base-Backbone interact. energy: -0.004
local terms energy: -61.984589
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -10.158
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -13.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -183.840868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.840868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.840868 (E_RNA)
where:
Base-Base interactions energy: -121.062
where: short stacking energy: -51.197
Base-Backbone interact. energy: -0.301
local terms energy: -62.477766
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -5.150
tors. eta vs tors. theta energy: -15.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -186.833347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.833347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.833347 (E_RNA)
where:
Base-Base interactions energy: -131.580
where: short stacking energy: -53.370
Base-Backbone interact. energy: -0.050
local terms energy: -55.203479
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -7.605
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -17.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -186.512240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.512240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.512240 (E_RNA)
where:
Base-Base interactions energy: -130.110
where: short stacking energy: -48.132
Base-Backbone interact. energy: -0.001
local terms energy: -56.401224
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -10.423
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -13.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -81.679681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.679681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.679681 (E_RNA)
where:
Base-Base interactions energy: -31.590
where: short stacking energy: -31.590
Base-Backbone interact. energy: -0.172
local terms energy: -49.917922
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -9.221
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -5.801
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: 7
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -78.092538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.092538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.092538 (E_RNA)
where:
Base-Base interactions energy: -41.259
where: short stacking energy: -25.575
Base-Backbone interact. energy: -0.180
local terms energy: -36.653866
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -7.933
flat angles C4'-P-C4' energy: -9.171
flat angles P-C4'-P energy: -3.200
tors. eta vs tors. theta energy: -5.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -210.076777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.076777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.076777 (E_RNA)
where:
Base-Base interactions energy: -139.471
where: short stacking energy: -66.514
Base-Backbone interact. energy: -1.194
local terms energy: -69.412326
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -19.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -209.457797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.457797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.457797 (E_RNA)
where:
Base-Base interactions energy: -148.598
where: short stacking energy: -64.163
Base-Backbone interact. energy: -0.539
local terms energy: -60.321452
where:
bonds (distance) C4'-P energy: -6.404
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -13.907
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: 8
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -202.909691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.909691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.909691 (E_RNA)
where:
Base-Base interactions energy: -137.543
where: short stacking energy: -57.330
Base-Backbone interact. energy: -0.347
local terms energy: -65.019832
where:
bonds (distance) C4'-P energy: -12.851
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -5.922
tors. eta vs tors. theta energy: -18.784
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: 1
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -202.341082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.341082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.341082 (E_RNA)
where:
Base-Base interactions energy: -134.871
where: short stacking energy: -65.130
Base-Backbone interact. energy: -0.022
local terms energy: -67.447803
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -17.415
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: 5
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -186.271161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.271161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.271161 (E_RNA)
where:
Base-Base interactions energy: -121.634
where: short stacking energy: -49.931
Base-Backbone interact. energy: -0.403
local terms energy: -64.233878
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -13.914
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: 9
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -195.833147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.833147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.833147 (E_RNA)
where:
Base-Base interactions energy: -134.375
where: short stacking energy: -55.517
Base-Backbone interact. energy: -0.016
local terms energy: -61.441937
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -11.335
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -14.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -198.250994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.250994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.250994 (E_RNA)
where:
Base-Base interactions energy: -134.698
where: short stacking energy: -61.158
Base-Backbone interact. energy: -0.006
local terms energy: -63.546724
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -16.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -186.890441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.890441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.890441 (E_RNA)
where:
Base-Base interactions energy: -132.609
where: short stacking energy: -58.256
Base-Backbone interact. energy: -0.003
local terms energy: -54.278584
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -9.440
flat angles C4'-P-C4' energy: -11.048
flat angles P-C4'-P energy: -5.198
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: 9, replica: 7
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -122.404635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.404635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.404635 (E_RNA)
where:
Base-Base interactions energy: -75.834
where: short stacking energy: -31.709
Base-Backbone interact. energy: -0.191
local terms energy: -46.379769
where:
bonds (distance) C4'-P energy: -9.411
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -10.511
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -5.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -84.375123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.375123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.375123 (E_RNA)
where:
Base-Base interactions energy: -42.252
where: short stacking energy: -38.562
Base-Backbone interact. energy: -0.006
local terms energy: -42.117212
where:
bonds (distance) C4'-P energy: -3.573
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -5.477
flat angles P-C4'-P energy: -10.831
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: 3
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -213.677256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.677256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.677256 (E_RNA)
where:
Base-Base interactions energy: -141.372
where: short stacking energy: -65.093
Base-Backbone interact. energy: -0.182
local terms energy: -72.123287
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -18.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -204.338650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.338650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.338650 (E_RNA)
where:
Base-Base interactions energy: -139.361
where: short stacking energy: -62.285
Base-Backbone interact. energy: -0.052
local terms energy: -64.924739
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -15.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -208.427120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.427120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.427120 (E_RNA)
where:
Base-Base interactions energy: -138.781
where: short stacking energy: -68.002
Base-Backbone interact. energy: -0.126
local terms energy: -69.519626
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -17.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -207.977486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.977486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.977486 (E_RNA)
where:
Base-Base interactions energy: -140.731
where: short stacking energy: -65.917
Base-Backbone interact. energy: -0.350
local terms energy: -66.896146
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -10.496
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -20.438
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: 279
Temperature: 1.100000
Total energy: -194.660137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.660137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.660137 (E_RNA)
where:
Base-Base interactions energy: -138.267
where: short stacking energy: -54.538
Base-Backbone interact. energy: -0.556
local terms energy: -55.837143
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -5.733
tors. eta vs tors. theta energy: -13.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -188.935975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.935975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.935975 (E_RNA)
where:
Base-Base interactions energy: -122.221
where: short stacking energy: -51.370
Base-Backbone interact. energy: -0.041
local terms energy: -66.673702
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -11.555
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -14.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -191.962225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.962225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.962225 (E_RNA)
where:
Base-Base interactions energy: -135.862
where: short stacking energy: -63.511
Base-Backbone interact. energy: -0.135
local terms energy: -55.965099
where:
bonds (distance) C4'-P energy: -7.608
bonds (distance) P-C4' energy: -7.279
flat angles C4'-P-C4' energy: -10.769
flat angles P-C4'-P energy: -10.742
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: 8, replica: 6
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -171.516291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.516291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.516291 (E_RNA)
where:
Base-Base interactions energy: -116.217
where: short stacking energy: -51.731
Base-Backbone interact. energy: -0.643
local terms energy: -54.655855
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -10.391
flat angles C4'-P-C4' energy: -10.248
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -11.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -143.776575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.776575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.776575 (E_RNA)
where:
Base-Base interactions energy: -95.445
where: short stacking energy: -40.318
Base-Backbone interact. energy: -0.106
local terms energy: -48.225269
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -8.229
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -7.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -68.132537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.132537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.132537 (E_RNA)
where:
Base-Base interactions energy: -23.606
where: short stacking energy: -23.606
Base-Backbone interact. energy: -0.230
local terms energy: -44.296404
where:
bonds (distance) C4'-P energy: -8.662
bonds (distance) P-C4' energy: -12.333
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -6.015
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: 4
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -218.151000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.151000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.151000 (E_RNA)
where:
Base-Base interactions energy: -147.074
where: short stacking energy: -66.210
Base-Backbone interact. energy: -0.797
local terms energy: -70.279265
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -17.076
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: 280
Temperature: 0.950000
Total energy: -211.559933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.559933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.559933 (E_RNA)
where:
Base-Base interactions energy: -143.273
where: short stacking energy: -67.091
Base-Backbone interact. energy: -0.000
local terms energy: -68.286910
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -17.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -208.767396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.767396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.767396 (E_RNA)
where:
Base-Base interactions energy: -141.068
where: short stacking energy: -68.699
Base-Backbone interact. energy: -0.767
local terms energy: -66.932970
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -12.206
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -16.826
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: 8
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -200.139075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.139075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.139075 (E_RNA)
where:
Base-Base interactions energy: -136.388
where: short stacking energy: -57.607
Base-Backbone interact. energy: -0.432
local terms energy: -63.318999
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -13.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -200.886263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.886263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.886263 (E_RNA)
where:
Base-Base interactions energy: -135.561
where: short stacking energy: -64.395
Base-Backbone interact. energy: -0.575
local terms energy: -64.750355
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -17.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -193.630886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.630886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.630886 (E_RNA)
where:
Base-Base interactions energy: -132.484
where: short stacking energy: -56.775
Base-Backbone interact. energy: -0.008
local terms energy: -61.138822
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -11.016
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -15.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -166.206531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.206531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.206531 (E_RNA)
where:
Base-Base interactions energy: -116.467
where: short stacking energy: -54.852
Base-Backbone interact. energy: -0.689
local terms energy: -49.050646
where:
bonds (distance) C4'-P energy: -9.168
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -8.586
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -12.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -175.623289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.623289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.623289 (E_RNA)
where:
Base-Base interactions energy: -116.674
where: short stacking energy: -49.543
Base-Backbone interact. energy: -0.207
local terms energy: -58.742104
where:
bonds (distance) C4'-P energy: -8.619
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -10.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -67.636209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.636209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.636209 (E_RNA)
where:
Base-Base interactions energy: -21.656
where: short stacking energy: -17.918
Base-Backbone interact. energy: -1.429
local terms energy: -44.551545
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -3.801
tors. eta vs tors. theta energy: 1.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -170.941234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.941234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.941234 (E_RNA)
where:
Base-Base interactions energy: -115.232
where: short stacking energy: -51.779
Base-Backbone interact. energy: -0.020
local terms energy: -55.690016
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -8.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -210.631068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.631068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.631068 (E_RNA)
where:
Base-Base interactions energy: -144.282
where: short stacking energy: -66.994
Base-Backbone interact. energy: -0.282
local terms energy: -66.067359
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -18.125
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: 1
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -211.682673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.682673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.682673 (E_RNA)
where:
Base-Base interactions energy: -140.623
where: short stacking energy: -59.889
Base-Backbone interact. energy: -1.704
local terms energy: -69.356040
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -18.562
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: 281
Temperature: 1.000000
Total energy: -206.132150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.132150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.132150 (E_RNA)
where:
Base-Base interactions energy: -143.269
where: short stacking energy: -69.701
Base-Backbone interact. energy: -0.311
local terms energy: -62.552215
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -6.698
tors. eta vs tors. theta energy: -18.140
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: 4, replica: 5
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -202.922920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.922920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.922920 (E_RNA)
where:
Base-Base interactions energy: -132.717
where: short stacking energy: -55.138
Base-Backbone interact. energy: -0.327
local terms energy: -69.878620
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -15.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -200.162261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.162261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.162261 (E_RNA)
where:
Base-Base interactions energy: -138.372
where: short stacking energy: -59.413
Base-Backbone interact. energy: -0.076
local terms energy: -61.714506
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -10.888
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: -18.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -184.094885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.094885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.094885 (E_RNA)
where:
Base-Base interactions energy: -132.969
where: short stacking energy: -52.318
Base-Backbone interact. energy: -0.005
local terms energy: -51.120518
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -9.047
flat angles P-C4'-P energy: -6.028
tors. eta vs tors. theta energy: -10.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -198.040666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.040666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.040666 (E_RNA)
where:
Base-Base interactions energy: -131.774
where: short stacking energy: -57.579
Base-Backbone interact. energy: -0.238
local terms energy: -66.027993
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -14.897
flat angles C4'-P-C4' energy: -11.098
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -16.723
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: 281
Temperature: 1.250000
Total energy: -171.267563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.267563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.267563 (E_RNA)
where:
Base-Base interactions energy: -113.635
where: short stacking energy: -42.219
Base-Backbone interact. energy: -0.033
local terms energy: -57.599308
where:
bonds (distance) C4'-P energy: -10.868
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -11.178
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: 9, replica: 10
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -74.072929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.072929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.072929 (E_RNA)
where:
Base-Base interactions energy: -33.099
where: short stacking energy: -33.499
Base-Backbone interact. energy: -0.707
local terms energy: -40.267019
where:
bonds (distance) C4'-P energy: -9.582
bonds (distance) P-C4' energy: -7.497
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -6.567
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: 10, replica: 7
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -166.097741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.097741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.097741 (E_RNA)
where:
Base-Base interactions energy: -116.455
where: short stacking energy: -45.388
Base-Backbone interact. energy: -0.013
local terms energy: -49.629144
where:
bonds (distance) C4'-P energy: -8.633
bonds (distance) P-C4' energy: -10.419
flat angles C4'-P-C4' energy: -10.175
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -13.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -212.801365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.801365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.801365 (E_RNA)
where:
Base-Base interactions energy: -147.209
where: short stacking energy: -51.891
Base-Backbone interact. energy: -0.045
local terms energy: -65.547456
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -11.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -209.915039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.915039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.915039 (E_RNA)
where:
Base-Base interactions energy: -144.683
where: short stacking energy: -66.148
Base-Backbone interact. energy: -1.402
local terms energy: -63.830566
where:
bonds (distance) C4'-P energy: -7.516
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -11.732
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -18.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -213.162858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.162858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.162858 (E_RNA)
where:
Base-Base interactions energy: -146.234
where: short stacking energy: -56.610
Base-Backbone interact. energy: -0.679
local terms energy: -66.249418
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -14.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -198.259520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.259520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.259520 (E_RNA)
where:
Base-Base interactions energy: -129.200
where: short stacking energy: -59.876
Base-Backbone interact. energy: -0.057
local terms energy: -69.002270
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -17.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -196.423818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.423818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.423818 (E_RNA)
where:
Base-Base interactions energy: -133.349
where: short stacking energy: -60.859
Base-Backbone interact. energy: -0.871
local terms energy: -62.203378
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -8.227
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: 6, replica: 8
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -199.098826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.098826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.098826 (E_RNA)
where:
Base-Base interactions energy: -136.574
where: short stacking energy: -61.852
Base-Backbone interact. energy: -0.416
local terms energy: -62.109158
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -14.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -197.183787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.183787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.183787 (E_RNA)
where:
Base-Base interactions energy: -140.876
where: short stacking energy: -54.472
Base-Backbone interact. energy: -0.314
local terms energy: -55.994232
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -10.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -186.443271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.443271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.443271 (E_RNA)
where:
Base-Base interactions energy: -128.915
where: short stacking energy: -53.985
Base-Backbone interact. energy: -0.003
local terms energy: -57.525324
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -11.381
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -12.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -180.461749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.461749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.461749 (E_RNA)
where:
Base-Base interactions energy: -119.324
where: short stacking energy: -46.588
Base-Backbone interact. energy: -0.007
local terms energy: -61.130848
where:
bonds (distance) C4'-P energy: -13.037
bonds (distance) P-C4' energy: -11.219
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -13.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -71.547911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.547911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.547911 (E_RNA)
where:
Base-Base interactions energy: -27.585
where: short stacking energy: -27.585
Base-Backbone interact. energy: -0.279
local terms energy: -43.683657
where:
bonds (distance) C4'-P energy: -8.270
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -10.295
flat angles P-C4'-P energy: -6.378
tors. eta vs tors. theta energy: -4.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -214.460860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.460860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.460860 (E_RNA)
where:
Base-Base interactions energy: -142.400
where: short stacking energy: -64.542
Base-Backbone interact. energy: -1.612
local terms energy: -70.449020
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -11.609
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: 2, replica: 5
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -208.478262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.478262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.478262 (E_RNA)
where:
Base-Base interactions energy: -139.387
where: short stacking energy: -67.166
Base-Backbone interact. energy: -0.424
local terms energy: -68.666716
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -18.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -203.726652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.726652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.726652 (E_RNA)
where:
Base-Base interactions energy: -131.085
where: short stacking energy: -59.123
Base-Backbone interact. energy: -0.304
local terms energy: -72.337751
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -10.624
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: 4, replica: 6
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -204.184599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.184599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.184599 (E_RNA)
where:
Base-Base interactions energy: -144.785
where: short stacking energy: -63.882
Base-Backbone interact. energy: -0.001
local terms energy: -59.399194
where:
bonds (distance) C4'-P energy: -9.073
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -4.963
tors. eta vs tors. theta energy: -16.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -191.714064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.714064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.714064 (E_RNA)
where:
Base-Base interactions energy: -125.644
where: short stacking energy: -56.047
Base-Backbone interact. energy: -0.515
local terms energy: -65.555012
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -15.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -189.806047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.806047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.806047 (E_RNA)
where:
Base-Base interactions energy: -130.784
where: short stacking energy: -58.910
Base-Backbone interact. energy: -0.814
local terms energy: -58.208164
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -12.804
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: 7, replica: 8
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -191.136324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.136324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.136324 (E_RNA)
where:
Base-Base interactions energy: -128.558
where: short stacking energy: -54.244
Base-Backbone interact. energy: -0.006
local terms energy: -62.572601
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -10.686
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -16.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -182.660143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.660143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.660143 (E_RNA)
where:
Base-Base interactions energy: -123.220
where: short stacking energy: -53.721
Base-Backbone interact. energy: -0.706
local terms energy: -58.734443
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -8.849
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -13.449
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: 283
Temperature: 1.300000
Total energy: -177.095459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.095459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.095459 (E_RNA)
where:
Base-Base interactions energy: -124.084
where: short stacking energy: -51.688
Base-Backbone interact. energy: -0.002
local terms energy: -53.009403
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -9.369
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -10.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -75.304841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.304841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.304841 (E_RNA)
where:
Base-Base interactions energy: -31.372
where: short stacking energy: -31.372
Base-Backbone interact. energy: 1.285
local terms energy: -45.217679
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -10.998
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -5.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -214.093624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.093624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.093624 (E_RNA)
where:
Base-Base interactions energy: -150.176
where: short stacking energy: -54.230
Base-Backbone interact. energy: -0.016
local terms energy: -63.901054
where:
bonds (distance) C4'-P energy: -9.825
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -14.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -212.945479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.945479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.945479 (E_RNA)
where:
Base-Base interactions energy: -142.307
where: short stacking energy: -62.446
Base-Backbone interact. energy: -0.005
local terms energy: -70.633365
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -19.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -206.107270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.107270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.107270 (E_RNA)
where:
Base-Base interactions energy: -141.702
where: short stacking energy: -62.931
Base-Backbone interact. energy: -0.004
local terms energy: -64.401282
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -11.252
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -17.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -194.973604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.973604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.973604 (E_RNA)
where:
Base-Base interactions energy: -138.373
where: short stacking energy: -56.912
Base-Backbone interact. energy: -0.005
local terms energy: -56.594921
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -6.217
tors. eta vs tors. theta energy: -13.789
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: 2
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -201.091187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.091187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.091187 (E_RNA)
where:
Base-Base interactions energy: -140.977
where: short stacking energy: -59.457
Base-Backbone interact. energy: -0.079
local terms energy: -60.035910
where:
bonds (distance) C4'-P energy: -10.441
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -15.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -193.553675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.553675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.553675 (E_RNA)
where:
Base-Base interactions energy: -136.247
where: short stacking energy: -61.752
Base-Backbone interact. energy: -0.008
local terms energy: -57.297746
where:
bonds (distance) C4'-P energy: -8.107
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -16.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -185.716209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.716209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.716209 (E_RNA)
where:
Base-Base interactions energy: -130.910
where: short stacking energy: -50.871
Base-Backbone interact. energy: -0.277
local terms energy: -54.529437
where:
bonds (distance) C4'-P energy: -8.994
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -12.877
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: 284
Temperature: 1.250000
Total energy: -179.544138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.544138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.544138 (E_RNA)
where:
Base-Base interactions energy: -123.679
where: short stacking energy: -52.290
Base-Backbone interact. energy: -0.284
local terms energy: -55.580983
where:
bonds (distance) C4'-P energy: -8.694
bonds (distance) P-C4' energy: -11.438
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -12.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -182.387967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.387967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.387967 (E_RNA)
where:
Base-Base interactions energy: -134.161
where: short stacking energy: -58.251
Base-Backbone interact. energy: -0.494
local terms energy: -47.732835
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -2.435
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -14.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -69.687618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.687618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.687618 (E_RNA)
where:
Base-Base interactions energy: -25.489
where: short stacking energy: -25.489
Base-Backbone interact. energy: -0.146
local terms energy: -44.052119
where:
bonds (distance) C4'-P energy: -7.603
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -6.237
tors. eta vs tors. theta energy: -3.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -211.461899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.461899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.461899 (E_RNA)
where:
Base-Base interactions energy: -144.747
where: short stacking energy: -68.094
Base-Backbone interact. energy: -0.010
local terms energy: -66.704397
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -17.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -213.425001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.425001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.425001 (E_RNA)
where:
Base-Base interactions energy: -146.312
where: short stacking energy: -72.274
Base-Backbone interact. energy: -0.916
local terms energy: -66.196784
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -10.444
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -19.439
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: 3, replica: 4
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -203.285448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.285448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.285448 (E_RNA)
where:
Base-Base interactions energy: -141.831
where: short stacking energy: -57.021
Base-Backbone interact. energy: -0.079
local terms energy: -61.375030
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -11.141
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -16.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -201.935903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.935903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.935903 (E_RNA)
where:
Base-Base interactions energy: -138.318
where: short stacking energy: -64.403
Base-Backbone interact. energy: -0.045
local terms energy: -63.572760
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -19.080
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: 6
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -198.841681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.841681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.841681 (E_RNA)
where:
Base-Base interactions energy: -130.940
where: short stacking energy: -63.252
Base-Backbone interact. energy: -0.002
local terms energy: -67.899694
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -9.657
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -17.377
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: 7
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -191.017631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.017631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.017631 (E_RNA)
where:
Base-Base interactions energy: -130.117
where: short stacking energy: -60.491
Base-Backbone interact. energy: -0.056
local terms energy: -60.844019
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -15.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -184.617035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.617035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.617035 (E_RNA)
where:
Base-Base interactions energy: -128.496
where: short stacking energy: -53.131
Base-Backbone interact. energy: -0.138
local terms energy: -55.982792
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -10.383
flat angles C4'-P-C4' energy: -10.053
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -13.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -179.844923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.844923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.844923 (E_RNA)
where:
Base-Base interactions energy: -123.306
where: short stacking energy: -54.139
Base-Backbone interact. energy: 0.312
local terms energy: -56.850487
where:
bonds (distance) C4'-P energy: -5.477
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -13.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -175.666300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.666300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.666300 (E_RNA)
where:
Base-Base interactions energy: -123.576
where: short stacking energy: -47.229
Base-Backbone interact. energy: -0.128
local terms energy: -51.961972
where:
bonds (distance) C4'-P energy: -6.535
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -10.865
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: 10, replica: 10
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -74.224368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.224368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.224368 (E_RNA)
where:
Base-Base interactions energy: -32.584
where: short stacking energy: -26.981
Base-Backbone interact. energy: -0.686
local terms energy: -40.954080
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -10.231
flat angles C4'-P-C4' energy: -10.233
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -0.135
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: 286
Temperature: 0.900000
Total energy: -209.716729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.716729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.716729 (E_RNA)
where:
Base-Base interactions energy: -142.778
where: short stacking energy: -67.540
Base-Backbone interact. energy: -0.459
local terms energy: -66.478897
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -15.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -205.781415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.781415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.781415 (E_RNA)
where:
Base-Base interactions energy: -144.456
where: short stacking energy: -54.753
Base-Backbone interact. energy: -0.025
local terms energy: -61.300751
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -10.210
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -10.074
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: 3, replica: 2
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -205.846775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.846775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.846775 (E_RNA)
where:
Base-Base interactions energy: -139.577
where: short stacking energy: -62.053
Base-Backbone interact. energy: -0.124
local terms energy: -66.145415
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -8.912
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: 4, replica: 4
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -203.828182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.828182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.828182 (E_RNA)
where:
Base-Base interactions energy: -139.674
where: short stacking energy: -65.197
Base-Backbone interact. energy: 0.634
local terms energy: -64.788448
where:
bonds (distance) C4'-P energy: -9.031
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -18.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -195.377238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.377238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.377238 (E_RNA)
where:
Base-Base interactions energy: -124.605
where: short stacking energy: -56.928
Base-Backbone interact. energy: -0.084
local terms energy: -70.688147
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -15.145
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: 6
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -195.733896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.733896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.733896 (E_RNA)
where:
Base-Base interactions energy: -138.182
where: short stacking energy: -59.600
Base-Backbone interact. energy: -0.741
local terms energy: -56.810910
where:
bonds (distance) C4'-P energy: -10.000
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -12.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -185.956664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.956664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.956664 (E_RNA)
where:
Base-Base interactions energy: -126.428
where: short stacking energy: -57.972
Base-Backbone interact. energy: -0.516
local terms energy: -59.012666
where:
bonds (distance) C4'-P energy: -8.017
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -13.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -163.877963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.877963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.877963 (E_RNA)
where:
Base-Base interactions energy: -98.463
where: short stacking energy: -46.650
Base-Backbone interact. energy: -0.006
local terms energy: -65.408053
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -13.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -149.213580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.213580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.213580 (E_RNA)
where:
Base-Base interactions energy: -100.325
where: short stacking energy: -47.811
Base-Backbone interact. energy: -0.012
local terms energy: -48.876082
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -9.555
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -8.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -76.763290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.763290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.763290 (E_RNA)
where:
Base-Base interactions energy: -36.021
where: short stacking energy: -21.116
Base-Backbone interact. energy: -0.255
local terms energy: -40.486911
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: -6.146
tors. eta vs tors. theta energy: 1.883
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: 5
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -210.629682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.629682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.629682 (E_RNA)
where:
Base-Base interactions energy: -139.704
where: short stacking energy: -67.443
Base-Backbone interact. energy: 0.062
local terms energy: -70.987305
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -17.644
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: 2
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -206.792076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.792076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.792076 (E_RNA)
where:
Base-Base interactions energy: -136.534
where: short stacking energy: -65.928
Base-Backbone interact. energy: -0.132
local terms energy: -70.125821
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -17.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -212.608596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.608596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.608596 (E_RNA)
where:
Base-Base interactions energy: -145.826
where: short stacking energy: -61.299
Base-Backbone interact. energy: -0.012
local terms energy: -66.770797
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -15.563
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: 7
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -207.671074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.671074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.671074 (E_RNA)
where:
Base-Base interactions energy: -137.611
where: short stacking energy: -54.547
Base-Backbone interact. energy: -0.778
local terms energy: -69.281729
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -16.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -200.395925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.395925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.395925 (E_RNA)
where:
Base-Base interactions energy: -135.903
where: short stacking energy: -60.192
Base-Backbone interact. energy: -0.016
local terms energy: -64.477571
where:
bonds (distance) C4'-P energy: -10.529
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -19.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -190.118978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.118978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.118978 (E_RNA)
where:
Base-Base interactions energy: -125.321
where: short stacking energy: -56.263
Base-Backbone interact. energy: -0.452
local terms energy: -64.345653
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -16.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -176.453307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.453307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.453307 (E_RNA)
where:
Base-Base interactions energy: -123.592
where: short stacking energy: -53.625
Base-Backbone interact. energy: -0.059
local terms energy: -52.802131
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -6.316
tors. eta vs tors. theta energy: -12.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -162.369850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.369850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.369850 (E_RNA)
where:
Base-Base interactions energy: -112.164
where: short stacking energy: -48.201
Base-Backbone interact. energy: -0.001
local terms energy: -50.205068
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -10.729
flat angles P-C4'-P energy: -4.838
tors. eta vs tors. theta energy: -9.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -181.801879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.801879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.801879 (E_RNA)
where:
Base-Base interactions energy: -120.910
where: short stacking energy: -51.692
Base-Backbone interact. energy: -1.137
local terms energy: -59.754814
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -11.996
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -13.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -81.071637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.071637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.071637 (E_RNA)
where:
Base-Base interactions energy: -32.986
where: short stacking energy: -32.958
Base-Backbone interact. energy: 4.030
local terms energy: -52.115075
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -4.743
tors. eta vs tors. theta energy: -8.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -208.337066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.337066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.337066 (E_RNA)
where:
Base-Base interactions energy: -142.009
where: short stacking energy: -66.527
Base-Backbone interact. energy: -0.001
local terms energy: -66.326545
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -17.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -210.366349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.366349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.366349 (E_RNA)
where:
Base-Base interactions energy: -138.929
where: short stacking energy: -69.122
Base-Backbone interact. energy: -0.041
local terms energy: -71.396405
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: -16.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -204.530086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.530086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.530086 (E_RNA)
where:
Base-Base interactions energy: -139.084
where: short stacking energy: -63.595
Base-Backbone interact. energy: -0.291
local terms energy: -65.155388
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -11.592
flat angles C4'-P-C4' energy: -11.379
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -16.318
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: 1
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -204.830547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.830547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.830547 (E_RNA)
where:
Base-Base interactions energy: -144.427
where: short stacking energy: -59.975
Base-Backbone interact. energy: -0.089
local terms energy: -60.314991
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -9.079
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -12.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -201.257494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.257494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.257494 (E_RNA)
where:
Base-Base interactions energy: -141.845
where: short stacking energy: -58.910
Base-Backbone interact. energy: -0.070
local terms energy: -59.342034
where:
bonds (distance) C4'-P energy: -9.337
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -7.256
tors. eta vs tors. theta energy: -16.674
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: 6, replica: 4
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -192.918271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.918271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.918271 (E_RNA)
where:
Base-Base interactions energy: -133.093
where: short stacking energy: -57.044
Base-Backbone interact. energy: -0.321
local terms energy: -59.504448
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -9.498
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: -14.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -197.652262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.652262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.652262 (E_RNA)
where:
Base-Base interactions energy: -137.144
where: short stacking energy: -65.625
Base-Backbone interact. energy: -0.965
local terms energy: -59.543490
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -10.790
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: -18.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -163.621217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.621217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.621217 (E_RNA)
where:
Base-Base interactions energy: -114.636
where: short stacking energy: -48.105
Base-Backbone interact. energy: -0.177
local terms energy: -48.808962
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -9.318
flat angles C4'-P-C4' energy: -1.686
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -14.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -174.351156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.351156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.351156 (E_RNA)
where:
Base-Base interactions energy: -125.929
where: short stacking energy: -44.700
Base-Backbone interact. energy: -0.024
local terms energy: -48.397975
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -10.911
flat angles P-C4'-P energy: -1.082
tors. eta vs tors. theta energy: -11.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -62.718903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.718903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.718903 (E_RNA)
where:
Base-Base interactions energy: -21.747
where: short stacking energy: -19.687
Base-Backbone interact. energy: -0.471
local terms energy: -40.501862
where:
bonds (distance) C4'-P energy: -9.159
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -11.019
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: 2.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -208.553866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.553866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.553866 (E_RNA)
where:
Base-Base interactions energy: -140.929
where: short stacking energy: -61.688
Base-Backbone interact. energy: -0.838
local terms energy: -66.786668
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -5.722
tors. eta vs tors. theta energy: -18.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -211.216698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.216698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.216698 (E_RNA)
where:
Base-Base interactions energy: -136.537
where: short stacking energy: -61.367
Base-Backbone interact. energy: -0.003
local terms energy: -74.677014
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -19.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -208.490173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.490173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.490173 (E_RNA)
where:
Base-Base interactions energy: -138.794
where: short stacking energy: -63.144
Base-Backbone interact. energy: -0.031
local terms energy: -69.665544
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -18.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -200.241399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.241399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.241399 (E_RNA)
where:
Base-Base interactions energy: -130.302
where: short stacking energy: -61.409
Base-Backbone interact. energy: -0.004
local terms energy: -69.935464
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -10.792
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: 5, replica: 1
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -200.186496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.186496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.186496 (E_RNA)
where:
Base-Base interactions energy: -135.166
where: short stacking energy: -55.233
Base-Backbone interact. energy: -0.141
local terms energy: -64.880130
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -13.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -193.735522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.735522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.735522 (E_RNA)
where:
Base-Base interactions energy: -133.957
where: short stacking energy: -55.681
Base-Backbone interact. energy: -0.000
local terms energy: -59.778730
where:
bonds (distance) C4'-P energy: -7.678
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -12.214
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -15.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -176.637704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.637704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.637704 (E_RNA)
where:
Base-Base interactions energy: -128.372
where: short stacking energy: -47.110
Base-Backbone interact. energy: -0.101
local terms energy: -48.164624
where:
bonds (distance) C4'-P energy: -8.957
bonds (distance) P-C4' energy: -9.493
flat angles C4'-P-C4' energy: -11.510
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -8.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -183.404471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.404471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.404471 (E_RNA)
where:
Base-Base interactions energy: -127.257
where: short stacking energy: -58.816
Base-Backbone interact. energy: -0.298
local terms energy: -55.849087
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -8.625
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -13.520
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: 3
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -155.402911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.402911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.402911 (E_RNA)
where:
Base-Base interactions energy: -101.779
where: short stacking energy: -47.535
Base-Backbone interact. energy: -0.107
local terms energy: -53.516511
where:
bonds (distance) C4'-P energy: -8.948
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -8.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -67.335399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.335399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.335399 (E_RNA)
where:
Base-Base interactions energy: -31.225
where: short stacking energy: -18.454
Base-Backbone interact. energy: -0.235
local terms energy: -35.875048
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -11.848
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -6.722
tors. eta vs tors. theta energy: 7.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -221.362629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.362629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.362629 (E_RNA)
where:
Base-Base interactions energy: -147.985
where: short stacking energy: -70.142
Base-Backbone interact. energy: -1.283
local terms energy: -72.094621
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -20.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -200.568880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.568880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.568880 (E_RNA)
where:
Base-Base interactions energy: -142.864
where: short stacking energy: -53.696
Base-Backbone interact. energy: -0.046
local terms energy: -57.658940
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -11.527
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -11.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -205.144445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.144445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.144445 (E_RNA)
where:
Base-Base interactions energy: -142.633
where: short stacking energy: -65.616
Base-Backbone interact. energy: 0.131
local terms energy: -62.642473
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -10.815
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -16.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -200.997008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.997008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.997008 (E_RNA)
where:
Base-Base interactions energy: -134.259
where: short stacking energy: -51.151
Base-Backbone interact. energy: -1.206
local terms energy: -65.531933
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -16.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -206.185449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.185449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.185449 (E_RNA)
where:
Base-Base interactions energy: -138.392
where: short stacking energy: -63.286
Base-Backbone interact. energy: -2.383
local terms energy: -65.410263
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -19.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -188.007720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.007720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.007720 (E_RNA)
where:
Base-Base interactions energy: -122.081
where: short stacking energy: -55.164
Base-Backbone interact. energy: -0.002
local terms energy: -65.924336
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -12.305
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -18.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -188.761041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.761041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.761041 (E_RNA)
where:
Base-Base interactions energy: -128.212
where: short stacking energy: -53.398
Base-Backbone interact. energy: 0.324
local terms energy: -60.872766
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -4.044
tors. eta vs tors. theta energy: -17.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -189.892144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.892144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.892144 (E_RNA)
where:
Base-Base interactions energy: -132.946
where: short stacking energy: -58.010
Base-Backbone interact. energy: -1.104
local terms energy: -55.842102
where:
bonds (distance) C4'-P energy: -8.819
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -5.147
tors. eta vs tors. theta energy: -14.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -103.845006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.845006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.845006 (E_RNA)
where:
Base-Base interactions energy: -60.734
where: short stacking energy: -33.407
Base-Backbone interact. energy: -0.052
local terms energy: -43.058554
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -9.979
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -0.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -144.824876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.824876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.824876 (E_RNA)
where:
Base-Base interactions energy: -96.683
where: short stacking energy: -45.253
Base-Backbone interact. energy: -0.371
local terms energy: -47.771326
where:
bonds (distance) C4'-P energy: -8.419
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -11.716
flat angles P-C4'-P energy: -4.282
tors. eta vs tors. theta energy: -8.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -209.919163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.919163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.919163 (E_RNA)
where:
Base-Base interactions energy: -135.696
where: short stacking energy: -64.775
Base-Backbone interact. energy: -0.040
local terms energy: -74.183509
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -18.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -205.692011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.692011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.692011 (E_RNA)
where:
Base-Base interactions energy: -139.759
where: short stacking energy: -66.435
Base-Backbone interact. energy: -0.000
local terms energy: -65.932614
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -18.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -203.515341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.515341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.515341 (E_RNA)
where:
Base-Base interactions energy: -144.590
where: short stacking energy: -59.617
Base-Backbone interact. energy: 0.068
local terms energy: -58.993263
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -12.963
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -9.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -205.410447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.410447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.410447 (E_RNA)
where:
Base-Base interactions energy: -135.967
where: short stacking energy: -62.603
Base-Backbone interact. energy: -0.001
local terms energy: -69.442731
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -11.949
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -9.330
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: 5, replica: 2
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -197.409647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.409647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.409647 (E_RNA)
where:
Base-Base interactions energy: -136.021
where: short stacking energy: -57.306
Base-Backbone interact. energy: -0.023
local terms energy: -61.366086
where:
bonds (distance) C4'-P energy: -9.487
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -13.995
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: 8
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -189.670283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.670283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.670283 (E_RNA)
where:
Base-Base interactions energy: -134.283
where: short stacking energy: -59.227
Base-Backbone interact. energy: -0.051
local terms energy: -55.336127
where:
bonds (distance) C4'-P energy: -10.069
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -12.697
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: 1
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -187.582238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.582238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.582238 (E_RNA)
where:
Base-Base interactions energy: -124.250
where: short stacking energy: -52.527
Base-Backbone interact. energy: -0.773
local terms energy: -62.559035
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -12.732
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -14.913
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: 291
Temperature: 1.250000
Total energy: -197.389572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.389572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.389572 (E_RNA)
where:
Base-Base interactions energy: -132.626
where: short stacking energy: -62.827
Base-Backbone interact. energy: -0.022
local terms energy: -64.742182
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -11.513
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -16.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -85.260408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.260408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.260408 (E_RNA)
where:
Base-Base interactions energy: -36.038
where: short stacking energy: -36.038
Base-Backbone interact. energy: -0.123
local terms energy: -49.099122
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -8.534
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -5.242
tors. eta vs tors. theta energy: -11.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -170.718796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.718796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.718796 (E_RNA)
where:
Base-Base interactions energy: -117.112
where: short stacking energy: -52.960
Base-Backbone interact. energy: -0.062
local terms energy: -53.544924
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -11.014
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -6.178
tors. eta vs tors. theta energy: -13.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -212.728072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.728072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.728072 (E_RNA)
where:
Base-Base interactions energy: -143.441
where: short stacking energy: -68.559
Base-Backbone interact. energy: -1.581
local terms energy: -67.706047
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -20.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -208.028595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.028595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.028595 (E_RNA)
where:
Base-Base interactions energy: -143.853
where: short stacking energy: -61.343
Base-Backbone interact. energy: -0.049
local terms energy: -64.126422
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -10.156
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -14.980
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: 292
Temperature: 1.000000
Total energy: -203.847055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.847055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.847055 (E_RNA)
where:
Base-Base interactions energy: -139.224
where: short stacking energy: -54.724
Base-Backbone interact. energy: -0.955
local terms energy: -63.668725
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -15.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -193.765757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.765757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.765757 (E_RNA)
where:
Base-Base interactions energy: -126.337
where: short stacking energy: -59.826
Base-Backbone interact. energy: -0.477
local terms energy: -66.950958
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -13.855
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -16.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -203.935717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.935717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.935717 (E_RNA)
where:
Base-Base interactions energy: -144.650
where: short stacking energy: -64.229
Base-Backbone interact. energy: 2.342
local terms energy: -61.627827
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -9.535
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -16.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -206.600364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.600364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.600364 (E_RNA)
where:
Base-Base interactions energy: -136.151
where: short stacking energy: -66.275
Base-Backbone interact. energy: -0.341
local terms energy: -70.108556
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -18.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -190.416292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.416292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.416292 (E_RNA)
where:
Base-Base interactions energy: -130.118
where: short stacking energy: -55.659
Base-Backbone interact. energy: -0.642
local terms energy: -59.656026
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -10.904
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -15.538
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: 8, replica: 1
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -190.758511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.758511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.758511 (E_RNA)
where:
Base-Base interactions energy: -139.162
where: short stacking energy: -52.385
Base-Backbone interact. energy: -0.457
local terms energy: -51.138937
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -9.400
flat angles C4'-P-C4' energy: -9.836
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -12.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -174.052559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.052559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.052559 (E_RNA)
where:
Base-Base interactions energy: -124.852
where: short stacking energy: -56.990
Base-Backbone interact. energy: -0.012
local terms energy: -49.188811
where:
bonds (distance) C4'-P energy: -7.548
bonds (distance) P-C4' energy: -9.845
flat angles C4'-P-C4' energy: -11.286
flat angles P-C4'-P energy: -5.808
tors. eta vs tors. theta energy: -14.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -79.156385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.156385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.156385 (E_RNA)
where:
Base-Base interactions energy: -43.895
where: short stacking energy: -30.056
Base-Backbone interact. energy: 0.316
local terms energy: -35.577290
where:
bonds (distance) C4'-P energy: -7.247
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -4.937
flat angles P-C4'-P energy: -6.005
tors. eta vs tors. theta energy: -4.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -205.726073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.726073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.726073 (E_RNA)
where:
Base-Base interactions energy: -141.206
where: short stacking energy: -69.641
Base-Backbone interact. energy: -0.007
local terms energy: -64.513187
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -16.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -209.918577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.918577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.918577 (E_RNA)
where:
Base-Base interactions energy: -146.301
where: short stacking energy: -52.794
Base-Backbone interact. energy: 0.504
local terms energy: -64.121951
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -11.555
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -14.410
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: 7
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -198.541603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.541603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.541603 (E_RNA)
where:
Base-Base interactions energy: -143.844
where: short stacking energy: -53.707
Base-Backbone interact. energy: -0.367
local terms energy: -54.330597
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -10.129
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -13.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -198.182171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.182171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.182171 (E_RNA)
where:
Base-Base interactions energy: -133.367
where: short stacking energy: -60.137
Base-Backbone interact. energy: -0.006
local terms energy: -64.809119
where:
bonds (distance) C4'-P energy: -9.974
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -15.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -196.749625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.749625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.749625 (E_RNA)
where:
Base-Base interactions energy: -134.873
where: short stacking energy: -67.364
Base-Backbone interact. energy: -0.134
local terms energy: -61.743158
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -16.028
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: 4
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -195.841580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.841580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.841580 (E_RNA)
where:
Base-Base interactions energy: -132.989
where: short stacking energy: -64.595
Base-Backbone interact. energy: -0.167
local terms energy: -62.684738
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -9.227
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -17.317
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: 2
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -177.456781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.456781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.456781 (E_RNA)
where:
Base-Base interactions energy: -121.267
where: short stacking energy: -51.528
Base-Backbone interact. energy: -0.331
local terms energy: -55.859525
where:
bonds (distance) C4'-P energy: -6.474
bonds (distance) P-C4' energy: -11.278
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -11.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -184.791935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.791935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.791935 (E_RNA)
where:
Base-Base interactions energy: -125.712
where: short stacking energy: -47.616
Base-Backbone interact. energy: -0.561
local terms energy: -58.519142
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -9.971
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: -14.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -178.249913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.249913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.249913 (E_RNA)
where:
Base-Base interactions energy: -126.239
where: short stacking energy: -51.649
Base-Backbone interact. energy: -0.446
local terms energy: -51.565172
where:
bonds (distance) C4'-P energy: -9.702
bonds (distance) P-C4' energy: -9.348
flat angles C4'-P-C4' energy: -11.153
flat angles P-C4'-P energy: -8.324
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: 10, replica: 10
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -64.095524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.095524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.095524 (E_RNA)
where:
Base-Base interactions energy: -26.224
where: short stacking energy: -20.936
Base-Backbone interact. energy: -0.029
local terms energy: -37.842952
where:
bonds (distance) C4'-P energy: -9.946
bonds (distance) P-C4' energy: -12.829
flat angles C4'-P-C4' energy: -8.455
flat angles P-C4'-P energy: -3.881
tors. eta vs tors. theta energy: -2.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -211.861500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.861500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.861500 (E_RNA)
where:
Base-Base interactions energy: -144.940
where: short stacking energy: -63.146
Base-Backbone interact. energy: -0.009
local terms energy: -66.912116
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -18.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -214.491083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.491083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.491083 (E_RNA)
where:
Base-Base interactions energy: -141.315
where: short stacking energy: -65.891
Base-Backbone interact. energy: -1.237
local terms energy: -71.938999
where:
bonds (distance) C4'-P energy: -9.043
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -20.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -206.646731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.646731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.646731 (E_RNA)
where:
Base-Base interactions energy: -138.517
where: short stacking energy: -67.581
Base-Backbone interact. energy: -0.911
local terms energy: -67.219276
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -18.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -192.998412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.998412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.998412 (E_RNA)
where:
Base-Base interactions energy: -131.286
where: short stacking energy: -57.442
Base-Backbone interact. energy: -0.003
local terms energy: -61.709965
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -16.201
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: 5, replica: 9
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -199.302673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.302673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.302673 (E_RNA)
where:
Base-Base interactions energy: -134.464
where: short stacking energy: -62.259
Base-Backbone interact. energy: -0.796
local terms energy: -64.043177
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -5.067
tors. eta vs tors. theta energy: -18.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -179.096913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.096913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.096913 (E_RNA)
where:
Base-Base interactions energy: -120.113
where: short stacking energy: -52.623
Base-Backbone interact. energy: -0.100
local terms energy: -58.883602
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -11.864
flat angles C4'-P-C4' energy: -9.415
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -14.137
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: 7, replica: 3
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -185.230843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.230843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.230843 (E_RNA)
where:
Base-Base interactions energy: -123.429
where: short stacking energy: -56.018
Base-Backbone interact. energy: -0.000
local terms energy: -61.801597
where:
bonds (distance) C4'-P energy: -9.262
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -14.998
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: 294
Temperature: 1.250000
Total energy: -176.038288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.038288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.038288 (E_RNA)
where:
Base-Base interactions energy: -120.492
where: short stacking energy: -43.685
Base-Backbone interact. energy: -0.137
local terms energy: -55.409595
where:
bonds (distance) C4'-P energy: -9.534
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -14.014
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: 294
Temperature: 1.300000
Total energy: -181.413069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.413069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.413069 (E_RNA)
where:
Base-Base interactions energy: -129.699
where: short stacking energy: -55.227
Base-Backbone interact. energy: -0.001
local terms energy: -51.713222
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -12.369
flat angles C4'-P-C4' energy: -7.742
flat angles P-C4'-P energy: -3.765
tors. eta vs tors. theta energy: -16.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -73.010643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.010643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.010643 (E_RNA)
where:
Base-Base interactions energy: -27.158
where: short stacking energy: -27.158
Base-Backbone interact. energy: -0.090
local terms energy: -45.762203
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -12.077
flat angles C4'-P-C4' energy: -5.684
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -6.482
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: 295
Temperature: 0.900000
Total energy: -208.432749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.432749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.432749 (E_RNA)
where:
Base-Base interactions energy: -139.183
where: short stacking energy: -59.689
Base-Backbone interact. energy: -1.172
local terms energy: -68.078079
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -18.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -201.995965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.995965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.995965 (E_RNA)
where:
Base-Base interactions energy: -137.523
where: short stacking energy: -56.471
Base-Backbone interact. energy: -0.415
local terms energy: -64.057853
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -12.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -213.368587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.368587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.368587 (E_RNA)
where:
Base-Base interactions energy: -141.782
where: short stacking energy: -63.572
Base-Backbone interact. energy: -1.228
local terms energy: -70.358416
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -17.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -208.066833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.066833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.066833 (E_RNA)
where:
Base-Base interactions energy: -140.413
where: short stacking energy: -67.798
Base-Backbone interact. energy: -0.472
local terms energy: -67.181651
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -13.177
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -18.290
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: 9
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -191.688975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.688975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.688975 (E_RNA)
where:
Base-Base interactions energy: -132.424
where: short stacking energy: -52.829
Base-Backbone interact. energy: -0.100
local terms energy: -59.165491
where:
bonds (distance) C4'-P energy: -7.011
bonds (distance) P-C4' energy: -10.565
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -13.831
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: 295
Temperature: 1.150000
Total energy: -193.702716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.702716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.702716 (E_RNA)
where:
Base-Base interactions energy: -131.801
where: short stacking energy: -61.474
Base-Backbone interact. energy: -0.012
local terms energy: -61.890041
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -9.179
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -15.577
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: 7, replica: 4
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -187.354137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.354137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.354137 (E_RNA)
where:
Base-Base interactions energy: -129.400
where: short stacking energy: -55.880
Base-Backbone interact. energy: -0.035
local terms energy: -57.919157
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -9.637
flat angles C4'-P-C4' energy: -7.999
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -15.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -187.083385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.083385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.083385 (E_RNA)
where:
Base-Base interactions energy: -129.272
where: short stacking energy: -57.908
Base-Backbone interact. energy: -0.631
local terms energy: -57.179519
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -9.146
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -5.016
tors. eta vs tors. theta energy: -16.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -175.969946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.969946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.969946 (E_RNA)
where:
Base-Base interactions energy: -120.100
where: short stacking energy: -47.418
Base-Backbone interact. energy: -0.061
local terms energy: -55.808857
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -10.574
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -11.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -67.802117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.802117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.802117 (E_RNA)
where:
Base-Base interactions energy: -32.677
where: short stacking energy: -21.152
Base-Backbone interact. energy: -0.281
local terms energy: -34.844068
where:
bonds (distance) C4'-P energy: -8.592
bonds (distance) P-C4' energy: -8.805
flat angles C4'-P-C4' energy: -7.778
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -207.184816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.184816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.184816 (E_RNA)
where:
Base-Base interactions energy: -144.407
where: short stacking energy: -66.900
Base-Backbone interact. energy: -0.319
local terms energy: -62.458837
where:
bonds (distance) C4'-P energy: -7.602
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -10.670
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: 2, replica: 8
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -207.785905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.785905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.785905 (E_RNA)
where:
Base-Base interactions energy: -141.599
where: short stacking energy: -67.333
Base-Backbone interact. energy: -0.020
local terms energy: -66.166895
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -10.444
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -18.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -204.284137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.284137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.284137 (E_RNA)
where:
Base-Base interactions energy: -137.012
where: short stacking energy: -61.895
Base-Backbone interact. energy: -0.001
local terms energy: -67.271442
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -19.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -207.401162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.401162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.401162 (E_RNA)
where:
Base-Base interactions energy: -137.509
where: short stacking energy: -61.919
Base-Backbone interact. energy: -0.063
local terms energy: -69.829457
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -11.913
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -12.387
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: 5, replica: 3
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -195.284707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.284707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.284707 (E_RNA)
where:
Base-Base interactions energy: -135.312
where: short stacking energy: -63.116
Base-Backbone interact. energy: -0.065
local terms energy: -59.907254
where:
bonds (distance) C4'-P energy: -9.768
bonds (distance) P-C4' energy: -11.154
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -16.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -174.099503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.099503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.099503 (E_RNA)
where:
Base-Base interactions energy: -117.668
where: short stacking energy: -51.811
Base-Backbone interact. energy: -0.715
local terms energy: -55.717051
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -9.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -190.486523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.486523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.486523 (E_RNA)
where:
Base-Base interactions energy: -127.638
where: short stacking energy: -58.304
Base-Backbone interact. energy: -0.015
local terms energy: -62.833753
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -11.805
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -15.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -171.750727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.750727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.750727 (E_RNA)
where:
Base-Base interactions energy: -115.795
where: short stacking energy: -49.451
Base-Backbone interact. energy: -0.694
local terms energy: -55.261494
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -10.869
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -11.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -72.724423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.724423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.724423 (E_RNA)
where:
Base-Base interactions energy: -28.395
where: short stacking energy: -28.395
Base-Backbone interact. energy: -0.060
local terms energy: -44.270322
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -5.171
tors. eta vs tors. theta energy: -2.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -162.821811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.821811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.821811 (E_RNA)
where:
Base-Base interactions energy: -110.581
where: short stacking energy: -40.923
Base-Backbone interact. energy: -0.895
local terms energy: -51.346403
where:
bonds (distance) C4'-P energy: -10.239
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -5.384
tors. eta vs tors. theta energy: -5.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -212.553897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.553897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.553897 (E_RNA)
where:
Base-Base interactions energy: -142.817
where: short stacking energy: -67.023
Base-Backbone interact. energy: -1.289
local terms energy: -68.447234
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -11.683
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -20.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -206.931775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.931775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.931775 (E_RNA)
where:
Base-Base interactions energy: -141.548
where: short stacking energy: -58.115
Base-Backbone interact. energy: -0.010
local terms energy: -65.373948
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -14.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -204.646845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.646845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.646845 (E_RNA)
where:
Base-Base interactions energy: -136.893
where: short stacking energy: -64.804
Base-Backbone interact. energy: -0.000
local terms energy: -67.753666
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -18.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -202.143692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.143692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.143692 (E_RNA)
where:
Base-Base interactions energy: -137.361
where: short stacking energy: -59.605
Base-Backbone interact. energy: -0.604
local terms energy: -64.178925
where:
bonds (distance) C4'-P energy: -10.367
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -16.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -203.108982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.108982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.108982 (E_RNA)
where:
Base-Base interactions energy: -135.864
where: short stacking energy: -58.088
Base-Backbone interact. energy: -0.049
local terms energy: -67.196619
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -16.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -197.560612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.560612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.560612 (E_RNA)
where:
Base-Base interactions energy: -126.959
where: short stacking energy: -50.180
Base-Backbone interact. energy: -0.680
local terms energy: -69.921312
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -17.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -186.153329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.153329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.153329 (E_RNA)
where:
Base-Base interactions energy: -137.447
where: short stacking energy: -60.006
Base-Backbone interact. energy: -0.008
local terms energy: -48.698319
where:
bonds (distance) C4'-P energy: -7.151
bonds (distance) P-C4' energy: -9.511
flat angles C4'-P-C4' energy: -9.513
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -15.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -176.985730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.985730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.985730 (E_RNA)
where:
Base-Base interactions energy: -117.203
where: short stacking energy: -50.283
Base-Backbone interact. energy: -0.000
local terms energy: -59.782421
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -8.892
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -13.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -74.962457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.962457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.962457 (E_RNA)
where:
Base-Base interactions energy: -26.612
where: short stacking energy: -26.612
Base-Backbone interact. energy: -0.037
local terms energy: -48.313104
where:
bonds (distance) C4'-P energy: -8.619
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -13.322
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -2.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -140.036557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.036557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.036557 (E_RNA)
where:
Base-Base interactions energy: -93.825
where: short stacking energy: -44.319
Base-Backbone interact. energy: -0.066
local terms energy: -46.145827
where:
bonds (distance) C4'-P energy: -9.271
bonds (distance) P-C4' energy: -10.289
flat angles C4'-P-C4' energy: -8.789
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -9.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -212.481582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.481582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.481582 (E_RNA)
where:
Base-Base interactions energy: -142.477
where: short stacking energy: -67.700
Base-Backbone interact. energy: -0.005
local terms energy: -70.000290
where:
bonds (distance) C4'-P energy: -10.669
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -18.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -210.784198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.784198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.784198 (E_RNA)
where:
Base-Base interactions energy: -138.414
where: short stacking energy: -65.291
Base-Backbone interact. energy: -0.262
local terms energy: -72.108013
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -19.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -202.364938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.364938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.364938 (E_RNA)
where:
Base-Base interactions energy: -137.279
where: short stacking energy: -64.654
Base-Backbone interact. energy: -0.460
local terms energy: -64.625906
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -8.722
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -19.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -192.927147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.927147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.927147 (E_RNA)
where:
Base-Base interactions energy: -133.179
where: short stacking energy: -64.175
Base-Backbone interact. energy: -0.000
local terms energy: -59.748372
where:
bonds (distance) C4'-P energy: -8.988
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -15.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -201.574056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.574056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.574056 (E_RNA)
where:
Base-Base interactions energy: -138.571
where: short stacking energy: -63.455
Base-Backbone interact. energy: -0.632
local terms energy: -62.370676
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -11.442
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: -18.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -192.159318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.159318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.159318 (E_RNA)
where:
Base-Base interactions energy: -127.185
where: short stacking energy: -57.522
Base-Backbone interact. energy: -0.037
local terms energy: -64.937251
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -7.530
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: 7, replica: 9
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -174.463075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.463075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.463075 (E_RNA)
where:
Base-Base interactions energy: -120.282
where: short stacking energy: -45.528
Base-Backbone interact. energy: -0.126
local terms energy: -54.054651
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -8.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -185.749926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.749926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.749926 (E_RNA)
where:
Base-Base interactions energy: -129.885
where: short stacking energy: -58.822
Base-Backbone interact. energy: -0.108
local terms energy: -55.757008
where:
bonds (distance) C4'-P energy: -9.982
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -9.613
flat angles P-C4'-P energy: -5.789
tors. eta vs tors. theta energy: -16.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -114.472714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.472714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.472714 (E_RNA)
where:
Base-Base interactions energy: -71.601
where: short stacking energy: -32.018
Base-Backbone interact. energy: -0.698
local terms energy: -42.173870
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -9.287
flat angles C4'-P-C4' energy: -11.762
flat angles P-C4'-P energy: -5.293
tors. eta vs tors. theta energy: -5.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -71.193171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.193171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.193171 (E_RNA)
where:
Base-Base interactions energy: -31.161
where: short stacking energy: -15.807
Base-Backbone interact. energy: -0.983
local terms energy: -39.048865
where:
bonds (distance) C4'-P energy: -9.611
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -5.295
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -0.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -210.425534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.425534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.425534 (E_RNA)
where:
Base-Base interactions energy: -140.340
where: short stacking energy: -63.430
Base-Backbone interact. energy: -1.860
local terms energy: -68.224806
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: -18.564
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: 7
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -208.796063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.796063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.796063 (E_RNA)
where:
Base-Base interactions energy: -147.717
where: short stacking energy: -60.218
Base-Backbone interact. energy: -0.002
local terms energy: -61.076931
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -3.795
tors. eta vs tors. theta energy: -18.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -204.609969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.609969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.609969 (E_RNA)
where:
Base-Base interactions energy: -139.071
where: short stacking energy: -62.447
Base-Backbone interact. energy: -0.002
local terms energy: -65.537773
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -16.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -192.165512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.165512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.165512 (E_RNA)
where:
Base-Base interactions energy: -129.028
where: short stacking energy: -61.502
Base-Backbone interact. energy: -0.460
local terms energy: -62.677894
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -11.668
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -17.147
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: 5, replica: 3
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -194.937681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.937681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.937681 (E_RNA)
where:
Base-Base interactions energy: -129.516
where: short stacking energy: -55.450
Base-Backbone interact. energy: -0.216
local terms energy: -65.206334
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -5.823
tors. eta vs tors. theta energy: -16.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -194.205444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.205444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.205444 (E_RNA)
where:
Base-Base interactions energy: -130.437
where: short stacking energy: -59.013
Base-Backbone interact. energy: 1.195
local terms energy: -64.963005
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -5.934
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: 7, replica: 9
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -178.988655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.988655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.988655 (E_RNA)
where:
Base-Base interactions energy: -127.214
where: short stacking energy: -53.945
Base-Backbone interact. energy: -0.054
local terms energy: -51.720432
where:
bonds (distance) C4'-P energy: -9.361
bonds (distance) P-C4' energy: -7.272
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -7.001
tors. eta vs tors. theta energy: -15.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -186.396381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.396381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.396381 (E_RNA)
where:
Base-Base interactions energy: -131.910
where: short stacking energy: -56.528
Base-Backbone interact. energy: -0.005
local terms energy: -54.481939
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -9.088
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -15.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -77.908334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.908334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.908334 (E_RNA)
where:
Base-Base interactions energy: -37.544
where: short stacking energy: -21.645
Base-Backbone interact. energy: -0.060
local terms energy: -40.304376
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -8.712
flat angles P-C4'-P energy: -4.669
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: 10, replica: 10
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -75.553957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.553957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.553957 (E_RNA)
where:
Base-Base interactions energy: -31.052
where: short stacking energy: -21.206
Base-Backbone interact. energy: -0.054
local terms energy: -44.448484
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -12.040
flat angles C4'-P-C4' energy: -10.617
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -0.541
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: 5
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -212.230844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.230844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.230844 (E_RNA)
where:
Base-Base interactions energy: -146.686
where: short stacking energy: -62.754
Base-Backbone interact. energy: -0.663
local terms energy: -64.882199
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -15.917
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: 7
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -198.062530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.062530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.062530 (E_RNA)
where:
Base-Base interactions energy: -137.513
where: short stacking energy: -59.009
Base-Backbone interact. energy: -1.177
local terms energy: -59.372566
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -11.117
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -13.649
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: 3, replica: 8
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -203.412289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.412289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.412289 (E_RNA)
where:
Base-Base interactions energy: -135.785
where: short stacking energy: -64.240
Base-Backbone interact. energy: -0.000
local terms energy: -67.627073
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -16.404
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: 4, replica: 4
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -188.808107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.808107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.808107 (E_RNA)
where:
Base-Base interactions energy: -129.824
where: short stacking energy: -56.507
Base-Backbone interact. energy: -0.000
local terms energy: -58.984128
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -9.834
flat angles C4'-P-C4' energy: -10.934
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -16.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -198.720942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.720942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.720942 (E_RNA)
where:
Base-Base interactions energy: -137.544
where: short stacking energy: -64.554
Base-Backbone interact. energy: -0.034
local terms energy: -61.143149
where:
bonds (distance) C4'-P energy: -10.261
bonds (distance) P-C4' energy: -10.882
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -6.903
tors. eta vs tors. theta energy: -18.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -192.499981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.499981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.499981 (E_RNA)
where:
Base-Base interactions energy: -129.413
where: short stacking energy: -54.779
Base-Backbone interact. energy: -0.000
local terms energy: -63.087109
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -6.563
tors. eta vs tors. theta energy: -18.419
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: 9
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -190.837487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.837487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.837487 (E_RNA)
where:
Base-Base interactions energy: -132.517
where: short stacking energy: -64.913
Base-Backbone interact. energy: -0.025
local terms energy: -58.295363
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -9.921
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -17.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -189.343807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.343807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.343807 (E_RNA)
where:
Base-Base interactions energy: -129.649
where: short stacking energy: -63.257
Base-Backbone interact. energy: -0.002
local terms energy: -59.693392
where:
bonds (distance) C4'-P energy: -9.752
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -15.682
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: 10
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -75.087447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.087447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.087447 (E_RNA)
where:
Base-Base interactions energy: -27.054
where: short stacking energy: -27.054
Base-Backbone interact. energy: -0.118
local terms energy: -47.914667
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -11.330
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -6.627
tors. eta vs tors. theta energy: -5.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -68.294534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.294534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.294534 (E_RNA)
where:
Base-Base interactions energy: -31.877
where: short stacking energy: -25.101
Base-Backbone interact. energy: -0.056
local terms energy: -36.361200
where:
bonds (distance) C4'-P energy: -10.434
bonds (distance) P-C4' energy: -8.657
flat angles C4'-P-C4' energy: -11.824
flat angles P-C4'-P energy: -4.551
tors. eta vs tors. theta energy: -0.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -215.028839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.028839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.028839 (E_RNA)
where:
Base-Base interactions energy: -139.545
where: short stacking energy: -68.504
Base-Backbone interact. energy: -0.575
local terms energy: -74.909676
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -20.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -205.859380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.859380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.859380 (E_RNA)
where:
Base-Base interactions energy: -137.198
where: short stacking energy: -63.919
Base-Backbone interact. energy: -0.001
local terms energy: -68.660525
where:
bonds (distance) C4'-P energy: -10.692
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -17.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -207.188633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.188633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.188633 (E_RNA)
where:
Base-Base interactions energy: -140.374
where: short stacking energy: -61.047
Base-Backbone interact. energy: -0.613
local terms energy: -66.201764
where:
bonds (distance) C4'-P energy: -11.936
bonds (distance) P-C4' energy: -15.320
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -12.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -199.151288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.151288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.151288 (E_RNA)
where:
Base-Base interactions energy: -135.601
where: short stacking energy: -56.464
Base-Backbone interact. energy: -0.673
local terms energy: -62.877830
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -12.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -201.248281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.248281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.248281 (E_RNA)
where:
Base-Base interactions energy: -141.329
where: short stacking energy: -59.603
Base-Backbone interact. energy: -0.632
local terms energy: -59.287069
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -10.095
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -14.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -187.480995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.480995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.480995 (E_RNA)
where:
Base-Base interactions energy: -126.478
where: short stacking energy: -60.996
Base-Backbone interact. energy: -0.000
local terms energy: -61.003112
where:
bonds (distance) C4'-P energy: -8.612
bonds (distance) P-C4' energy: -11.480
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -14.620
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: 3
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -197.956654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.956654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.956654 (E_RNA)
where:
Base-Base interactions energy: -133.885
where: short stacking energy: -64.288
Base-Backbone interact. energy: -0.000
local terms energy: -64.071156
where:
bonds (distance) C4'-P energy: -9.135
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -11.389
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: 8, replica: 1
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -189.625693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.625693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.625693 (E_RNA)
where:
Base-Base interactions energy: -125.737
where: short stacking energy: -50.445
Base-Backbone interact. energy: -0.425
local terms energy: -63.463587
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -16.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -71.032562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.032562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.032562 (E_RNA)
where:
Base-Base interactions energy: -33.544
where: short stacking energy: -14.862
Base-Backbone interact. energy: -0.903
local terms energy: -36.585476
where:
bonds (distance) C4'-P energy: -8.591
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -7.671
flat angles P-C4'-P energy: -7.685
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: 301
Temperature: 1.350000
Total energy: -66.780021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.780021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.780021 (E_RNA)
where:
Base-Base interactions energy: -26.703
where: short stacking energy: -26.703
Base-Backbone interact. energy: -1.182
local terms energy: -38.894751
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -9.527
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -4.605
tors. eta vs tors. theta energy: -1.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -213.281330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.281330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.281330 (E_RNA)
where:
Base-Base interactions energy: -143.956
where: short stacking energy: -62.841
Base-Backbone interact. energy: -2.333
local terms energy: -66.992810
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -17.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -206.652014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.652014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.652014 (E_RNA)
where:
Base-Base interactions energy: -142.231
where: short stacking energy: -60.806
Base-Backbone interact. energy: 0.459
local terms energy: -64.879694
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -17.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -208.328025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.328025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.328025 (E_RNA)
where:
Base-Base interactions energy: -140.859
where: short stacking energy: -66.714
Base-Backbone interact. energy: -0.057
local terms energy: -67.412688
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -11.273
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: 4, replica: 7
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -203.465556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.465556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.465556 (E_RNA)
where:
Base-Base interactions energy: -142.745
where: short stacking energy: -58.036
Base-Backbone interact. energy: -0.002
local terms energy: -60.718669
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -9.612
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -7.259
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: 5, replica: 9
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -196.851671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.851671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.851671 (E_RNA)
where:
Base-Base interactions energy: -128.940
where: short stacking energy: -64.102
Base-Backbone interact. energy: -0.004
local terms energy: -67.907699
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -16.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -186.420881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.420881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.420881 (E_RNA)
where:
Base-Base interactions energy: -125.315
where: short stacking energy: -56.905
Base-Backbone interact. energy: -0.017
local terms energy: -61.089336
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -9.245
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: 7, replica: 1
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -189.949156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.949156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.949156 (E_RNA)
where:
Base-Base interactions energy: -128.853
where: short stacking energy: -59.085
Base-Backbone interact. energy: -0.070
local terms energy: -61.026407
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -10.685
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -6.815
tors. eta vs tors. theta energy: -15.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -173.067194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.067194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.067194 (E_RNA)
where:
Base-Base interactions energy: -118.900
where: short stacking energy: -57.175
Base-Backbone interact. energy: -0.002
local terms energy: -54.165359
where:
bonds (distance) C4'-P energy: -8.580
bonds (distance) P-C4' energy: -11.341
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -12.127
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: 302
Temperature: 1.300000
Total energy: -73.389781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.389781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.389781 (E_RNA)
where:
Base-Base interactions energy: -28.715
where: short stacking energy: -28.715
Base-Backbone interact. energy: -0.160
local terms energy: -44.514895
where:
bonds (distance) C4'-P energy: -11.368
bonds (distance) P-C4' energy: -13.403
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -2.140
tors. eta vs tors. theta energy: -3.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -78.670894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.670894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.670894 (E_RNA)
where:
Base-Base interactions energy: -38.088
where: short stacking energy: -19.095
Base-Backbone interact. energy: -0.051
local terms energy: -40.532035
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -9.487
flat angles P-C4'-P energy: -4.178
tors. eta vs tors. theta energy: -3.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -205.621324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.621324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.621324 (E_RNA)
where:
Base-Base interactions energy: -140.445
where: short stacking energy: -65.101
Base-Backbone interact. energy: -0.029
local terms energy: -65.147819
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -5.678
tors. eta vs tors. theta energy: -16.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -205.200763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.200763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.200763 (E_RNA)
where:
Base-Base interactions energy: -134.957
where: short stacking energy: -69.074
Base-Backbone interact. energy: -0.291
local terms energy: -69.953149
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -17.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -208.504669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.504669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.504669 (E_RNA)
where:
Base-Base interactions energy: -140.283
where: short stacking energy: -61.405
Base-Backbone interact. energy: -0.156
local terms energy: -68.065518
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -17.328
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: 7
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -199.052656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.052656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.052656 (E_RNA)
where:
Base-Base interactions energy: -137.830
where: short stacking energy: -62.279
Base-Backbone interact. energy: -0.002
local terms energy: -61.220722
where:
bonds (distance) C4'-P energy: -8.484
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -18.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -202.954740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.954740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.954740 (E_RNA)
where:
Base-Base interactions energy: -135.782
where: short stacking energy: -62.291
Base-Backbone interact. energy: -0.945
local terms energy: -66.228038
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -17.695
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: 1
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -187.867842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.867842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.867842 (E_RNA)
where:
Base-Base interactions energy: -128.320
where: short stacking energy: -52.968
Base-Backbone interact. energy: -0.186
local terms energy: -59.361106
where:
bonds (distance) C4'-P energy: -10.160
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -12.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -187.640732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.640732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.640732 (E_RNA)
where:
Base-Base interactions energy: -133.303
where: short stacking energy: -63.200
Base-Backbone interact. energy: -1.075
local terms energy: -53.262304
where:
bonds (distance) C4'-P energy: -4.229
bonds (distance) P-C4' energy: -11.321
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -10.863
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: 8, replica: 3
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -124.569017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.569017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.569017 (E_RNA)
where:
Base-Base interactions energy: -84.055
where: short stacking energy: -39.245
Base-Backbone interact. energy: -0.174
local terms energy: -40.340369
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -11.044
flat angles C4'-P-C4' energy: -6.028
flat angles P-C4'-P energy: -4.958
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: 9, replica: 2
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -66.632705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.632705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.632705 (E_RNA)
where:
Base-Base interactions energy: -25.830
where: short stacking energy: -25.830
Base-Backbone interact. energy: -0.053
local terms energy: -40.749641
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -11.036
flat angles C4'-P-C4' energy: -8.796
flat angles P-C4'-P energy: -5.506
tors. eta vs tors. theta energy: -2.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -86.425772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.425772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.425772 (E_RNA)
where:
Base-Base interactions energy: -39.762
where: short stacking energy: -17.428
Base-Backbone interact. energy: 1.511
local terms energy: -48.174422
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: 0.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -213.163483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.163483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.163483 (E_RNA)
where:
Base-Base interactions energy: -150.530
where: short stacking energy: -70.085
Base-Backbone interact. energy: -0.125
local terms energy: -62.508845
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -11.059
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: -17.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -211.220226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.220226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.220226 (E_RNA)
where:
Base-Base interactions energy: -142.606
where: short stacking energy: -68.271
Base-Backbone interact. energy: -0.377
local terms energy: -68.237601
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -16.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -207.402953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.402953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.402953 (E_RNA)
where:
Base-Base interactions energy: -143.458
where: short stacking energy: -60.475
Base-Backbone interact. energy: -0.269
local terms energy: -63.676111
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -15.823
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: 304
Temperature: 1.050000
Total energy: -205.083188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.083188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.083188 (E_RNA)
where:
Base-Base interactions energy: -134.154
where: short stacking energy: -62.565
Base-Backbone interact. energy: -0.000
local terms energy: -70.929283
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -19.791
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: 1
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -198.949712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.949712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.949712 (E_RNA)
where:
Base-Base interactions energy: -133.327
where: short stacking energy: -61.755
Base-Backbone interact. energy: -0.014
local terms energy: -65.608517
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -17.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -191.910225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.910225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.910225 (E_RNA)
where:
Base-Base interactions energy: -132.545
where: short stacking energy: -63.867
Base-Backbone interact. energy: -0.054
local terms energy: -59.311089
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -9.628
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -6.548
tors. eta vs tors. theta energy: -17.356
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: 4
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -183.152129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.152129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.152129 (E_RNA)
where:
Base-Base interactions energy: -125.146
where: short stacking energy: -55.644
Base-Backbone interact. energy: -0.116
local terms energy: -57.890136
where:
bonds (distance) C4'-P energy: -9.194
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -10.102
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -15.019
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: 3
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -143.186399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.186399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.186399 (E_RNA)
where:
Base-Base interactions energy: -102.028
where: short stacking energy: -49.087
Base-Backbone interact. energy: -0.091
local terms energy: -41.067909
where:
bonds (distance) C4'-P energy: -6.406
bonds (distance) P-C4' energy: -9.767
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -6.033
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: 10
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -74.649784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.649784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.649784 (E_RNA)
where:
Base-Base interactions energy: -26.605
where: short stacking energy: -21.540
Base-Backbone interact. energy: -0.121
local terms energy: -47.924276
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -9.093
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: 2
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -75.487434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.487434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.487434 (E_RNA)
where:
Base-Base interactions energy: -31.899
where: short stacking energy: -31.899
Base-Backbone interact. energy: -0.064
local terms energy: -43.523914
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -11.765
flat angles C4'-P-C4' energy: -4.498
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -6.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -211.773039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.773039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.773039 (E_RNA)
where:
Base-Base interactions energy: -141.122
where: short stacking energy: -58.300
Base-Backbone interact. energy: -0.888
local terms energy: -69.762733
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -16.942
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: 7
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -210.888219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.888219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.888219 (E_RNA)
where:
Base-Base interactions energy: -150.072
where: short stacking energy: -64.072
Base-Backbone interact. energy: -0.062
local terms energy: -60.753973
where:
bonds (distance) C4'-P energy: -7.233
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -19.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -207.026777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.026777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.026777 (E_RNA)
where:
Base-Base interactions energy: -140.377
where: short stacking energy: -66.007
Base-Backbone interact. energy: -0.007
local terms energy: -66.642577
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -10.850
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -18.723
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: 1
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -202.728241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.728241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.728241 (E_RNA)
where:
Base-Base interactions energy: -135.012
where: short stacking energy: -60.239
Base-Backbone interact. energy: -2.185
local terms energy: -65.531891
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -16.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -198.702015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.702015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.702015 (E_RNA)
where:
Base-Base interactions energy: -134.484
where: short stacking energy: -59.038
Base-Backbone interact. energy: -1.239
local terms energy: -62.979031
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -10.795
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -19.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -198.089212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.089212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.089212 (E_RNA)
where:
Base-Base interactions energy: -132.857
where: short stacking energy: -57.608
Base-Backbone interact. energy: -0.034
local terms energy: -65.198363
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -8.643
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: 9
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -180.608762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.608762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.608762 (E_RNA)
where:
Base-Base interactions energy: -121.140
where: short stacking energy: -45.619
Base-Backbone interact. energy: 0.619
local terms energy: -60.087240
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -11.480
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: 8, replica: 3
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -130.420077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.420077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.420077 (E_RNA)
where:
Base-Base interactions energy: -85.076
where: short stacking energy: -37.377
Base-Backbone interact. energy: -0.040
local terms energy: -45.304032
where:
bonds (distance) C4'-P energy: -9.656
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -7.209
flat angles P-C4'-P energy: -4.695
tors. eta vs tors. theta energy: -10.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -66.354803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.354803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.354803 (E_RNA)
where:
Base-Base interactions energy: -24.118
where: short stacking energy: -24.118
Base-Backbone interact. energy: -0.098
local terms energy: -42.139240
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -11.119
flat angles P-C4'-P energy: -6.550
tors. eta vs tors. theta energy: 2.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -79.865568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.865568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.865568 (E_RNA)
where:
Base-Base interactions energy: -34.792
where: short stacking energy: -34.653
Base-Backbone interact. energy: -0.104
local terms energy: -44.970054
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -11.262
flat angles C4'-P-C4' energy: -3.620
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -5.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -218.672604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.672604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.672604 (E_RNA)
where:
Base-Base interactions energy: -149.010
where: short stacking energy: -61.744
Base-Backbone interact. energy: -0.438
local terms energy: -69.224459
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -18.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -208.001378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.001378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.001378 (E_RNA)
where:
Base-Base interactions energy: -140.268
where: short stacking energy: -67.171
Base-Backbone interact. energy: -0.042
local terms energy: -67.691569
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -6.968
tors. eta vs tors. theta energy: -19.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -203.689378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.689378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.689378 (E_RNA)
where:
Base-Base interactions energy: -139.344
where: short stacking energy: -61.984
Base-Backbone interact. energy: -1.437
local terms energy: -62.909137
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -10.285
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -18.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -202.988331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.988331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.988331 (E_RNA)
where:
Base-Base interactions energy: -138.232
where: short stacking energy: -55.288
Base-Backbone interact. energy: -0.002
local terms energy: -64.754387
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -12.220
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -16.714
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: 6
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -198.528457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.528457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.528457 (E_RNA)
where:
Base-Base interactions energy: -137.356
where: short stacking energy: -57.702
Base-Backbone interact. energy: -1.230
local terms energy: -59.942062
where:
bonds (distance) C4'-P energy: -8.222
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -9.983
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -16.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -191.436395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.436395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.436395 (E_RNA)
where:
Base-Base interactions energy: -129.590
where: short stacking energy: -54.653
Base-Backbone interact. energy: -0.051
local terms energy: -61.795374
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -10.403
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -17.888
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: 9
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -184.172857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.172857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.172857 (E_RNA)
where:
Base-Base interactions energy: -123.525
where: short stacking energy: -56.015
Base-Backbone interact. energy: -0.008
local terms energy: -60.639834
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -11.325
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -11.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -113.861334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.861334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.861334 (E_RNA)
where:
Base-Base interactions energy: -60.746
where: short stacking energy: -31.559
Base-Backbone interact. energy: -0.028
local terms energy: -53.087540
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -10.235
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -6.271
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: 9, replica: 2
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -76.630797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.630797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.630797 (E_RNA)
where:
Base-Base interactions energy: -37.871
where: short stacking energy: -22.421
Base-Backbone interact. energy: -0.121
local terms energy: -38.639464
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -8.866
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: 1.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -74.058210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.058210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.058210 (E_RNA)
where:
Base-Base interactions energy: -35.113
where: short stacking energy: -35.113
Base-Backbone interact. energy: -0.001
local terms energy: -38.944533
where:
bonds (distance) C4'-P energy: -6.038
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -4.547
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -5.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -211.333159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.333159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.333159 (E_RNA)
where:
Base-Base interactions energy: -145.299
where: short stacking energy: -56.885
Base-Backbone interact. energy: -0.000
local terms energy: -66.033954
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -6.510
tors. eta vs tors. theta energy: -17.834
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: 2, replica: 5
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -213.368204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.368204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.368204 (E_RNA)
where:
Base-Base interactions energy: -148.014
where: short stacking energy: -56.526
Base-Backbone interact. energy: -0.127
local terms energy: -65.227138
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -11.788
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: 3, replica: 8
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -202.303279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.303279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.303279 (E_RNA)
where:
Base-Base interactions energy: -135.465
where: short stacking energy: -60.393
Base-Backbone interact. energy: -0.001
local terms energy: -66.837922
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -17.386
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: 6
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -193.041041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.041041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.041041 (E_RNA)
where:
Base-Base interactions energy: -130.791
where: short stacking energy: -58.511
Base-Backbone interact. energy: -0.212
local terms energy: -62.038244
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -13.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -199.918133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.918133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.918133 (E_RNA)
where:
Base-Base interactions energy: -138.631
where: short stacking energy: -56.874
Base-Backbone interact. energy: -0.332
local terms energy: -60.954763
where:
bonds (distance) C4'-P energy: -7.690
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -15.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -192.187325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.187325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.187325 (E_RNA)
where:
Base-Base interactions energy: -129.037
where: short stacking energy: -60.910
Base-Backbone interact. energy: -0.024
local terms energy: -63.126405
where:
bonds (distance) C4'-P energy: -9.722
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -17.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -192.802586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.802586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.802586 (E_RNA)
where:
Base-Base interactions energy: -132.030
where: short stacking energy: -57.493
Base-Backbone interact. energy: -0.554
local terms energy: -60.217750
where:
bonds (distance) C4'-P energy: -9.163
bonds (distance) P-C4' energy: -10.671
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: -19.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -81.794418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.794418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.794418 (E_RNA)
where:
Base-Base interactions energy: -27.410
where: short stacking energy: -27.410
Base-Backbone interact. energy: -0.099
local terms energy: -54.285931
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -8.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -92.541025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.541025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.541025 (E_RNA)
where:
Base-Base interactions energy: -51.137
where: short stacking energy: -31.016
Base-Backbone interact. energy: -0.131
local terms energy: -41.272833
where:
bonds (distance) C4'-P energy: -8.853
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -5.719
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: -5.432
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: 10, replica: 10
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -80.865882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.865882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.865882 (E_RNA)
where:
Base-Base interactions energy: -35.973
where: short stacking energy: -28.662
Base-Backbone interact. energy: -0.214
local terms energy: -44.679502
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -12.210
flat angles C4'-P-C4' energy: -10.566
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -2.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -214.122111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.122111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.122111 (E_RNA)
where:
Base-Base interactions energy: -145.661
where: short stacking energy: -55.463
Base-Backbone interact. energy: -0.977
local terms energy: -67.484035
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -10.276
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: 2, replica: 7
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -209.805535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.805535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.805535 (E_RNA)
where:
Base-Base interactions energy: -146.189
where: short stacking energy: -64.867
Base-Backbone interact. energy: -0.114
local terms energy: -63.503002
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -15.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -205.838133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.838133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.838133 (E_RNA)
where:
Base-Base interactions energy: -139.508
where: short stacking energy: -61.066
Base-Backbone interact. energy: -0.271
local terms energy: -66.058208
where:
bonds (distance) C4'-P energy: -9.965
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -12.418
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: 4, replica: 8
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -201.560723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.560723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.560723 (E_RNA)
where:
Base-Base interactions energy: -137.775
where: short stacking energy: -62.221
Base-Backbone interact. energy: -0.016
local terms energy: -63.769867
where:
bonds (distance) C4'-P energy: -9.338
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -17.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -195.842032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.842032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.842032 (E_RNA)
where:
Base-Base interactions energy: -134.750
where: short stacking energy: -61.013
Base-Backbone interact. energy: -0.032
local terms energy: -61.060313
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -9.616
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -16.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -188.103035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.103035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.103035 (E_RNA)
where:
Base-Base interactions energy: -128.184
where: short stacking energy: -55.156
Base-Backbone interact. energy: 0.070
local terms energy: -59.988658
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -9.976
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: -16.495
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: 4
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -192.032719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.032719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.032719 (E_RNA)
where:
Base-Base interactions energy: -128.817
where: short stacking energy: -56.548
Base-Backbone interact. energy: -0.638
local terms energy: -62.577712
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -9.947
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -13.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -81.094737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.094737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.094737 (E_RNA)
where:
Base-Base interactions energy: -34.456
where: short stacking energy: -34.456
Base-Backbone interact. energy: -0.019
local terms energy: -46.619262
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -9.587
flat angles P-C4'-P energy: -3.583
tors. eta vs tors. theta energy: -7.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -66.840458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.840458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.840458 (E_RNA)
where:
Base-Base interactions energy: -22.472
where: short stacking energy: -11.214
Base-Backbone interact. energy: -0.139
local terms energy: -44.228827
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: 3.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -76.473099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.473099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.473099 (E_RNA)
where:
Base-Base interactions energy: -29.504
where: short stacking energy: -29.607
Base-Backbone interact. energy: 0.176
local terms energy: -47.145618
where:
bonds (distance) C4'-P energy: -8.050
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -9.972
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -7.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -216.182770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.182770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.182770 (E_RNA)
where:
Base-Base interactions energy: -144.684
where: short stacking energy: -65.315
Base-Backbone interact. energy: 1.017
local terms energy: -72.516358
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -17.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -210.702443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.702443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.702443 (E_RNA)
where:
Base-Base interactions energy: -141.416
where: short stacking energy: -60.678
Base-Backbone interact. energy: -0.531
local terms energy: -68.755856
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -18.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -201.893416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.893416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.893416 (E_RNA)
where:
Base-Base interactions energy: -137.474
where: short stacking energy: -59.547
Base-Backbone interact. energy: -0.591
local terms energy: -63.828093
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -17.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -197.689118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.689118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.689118 (E_RNA)
where:
Base-Base interactions energy: -137.210
where: short stacking energy: -50.190
Base-Backbone interact. energy: -0.846
local terms energy: -59.632965
where:
bonds (distance) C4'-P energy: -9.550
bonds (distance) P-C4' energy: -11.036
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -14.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -202.634887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.634887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.634887 (E_RNA)
where:
Base-Base interactions energy: -138.244
where: short stacking energy: -58.754
Base-Backbone interact. energy: -0.041
local terms energy: -64.350064
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -8.618
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: 6, replica: 4
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -184.192088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.192088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.192088 (E_RNA)
where:
Base-Base interactions energy: -123.080
where: short stacking energy: -54.990
Base-Backbone interact. energy: -0.053
local terms energy: -61.058923
where:
bonds (distance) C4'-P energy: -8.547
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -15.274
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: 1
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -178.693746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.693746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.693746 (E_RNA)
where:
Base-Base interactions energy: -124.651
where: short stacking energy: -48.661
Base-Backbone interact. energy: -0.481
local terms energy: -53.562382
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -11.035
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -9.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -91.670683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.670683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.670683 (E_RNA)
where:
Base-Base interactions energy: -42.984
where: short stacking energy: -34.091
Base-Backbone interact. energy: -1.528
local terms energy: -47.159424
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -9.987
flat angles C4'-P-C4' energy: -10.899
flat angles P-C4'-P energy: -4.211
tors. eta vs tors. theta energy: -10.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -75.957949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.957949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.957949 (E_RNA)
where:
Base-Base interactions energy: -32.798
where: short stacking energy: -32.798
Base-Backbone interact. energy: -0.005
local terms energy: -43.154688
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -8.798
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -2.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -156.611366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.611366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.611366 (E_RNA)
where:
Base-Base interactions energy: -114.024
where: short stacking energy: -43.098
Base-Backbone interact. energy: 0.406
local terms energy: -42.993165
where:
bonds (distance) C4'-P energy: -8.260
bonds (distance) P-C4' energy: -9.249
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -5.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -212.176401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.176401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.176401 (E_RNA)
where:
Base-Base interactions energy: -141.537
where: short stacking energy: -65.423
Base-Backbone interact. energy: -0.002
local terms energy: -70.636575
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -17.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -216.798649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.798649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.798649 (E_RNA)
where:
Base-Base interactions energy: -149.409
where: short stacking energy: -71.246
Base-Backbone interact. energy: -0.036
local terms energy: -67.353742
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -17.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -205.501349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.501349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.501349 (E_RNA)
where:
Base-Base interactions energy: -140.189
where: short stacking energy: -60.057
Base-Backbone interact. energy: -0.010
local terms energy: -65.302878
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -15.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -209.449158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.449158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.449158 (E_RNA)
where:
Base-Base interactions energy: -137.780
where: short stacking energy: -63.671
Base-Backbone interact. energy: -0.000
local terms energy: -71.669233
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -16.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -194.120185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.120185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.120185 (E_RNA)
where:
Base-Base interactions energy: -135.448
where: short stacking energy: -58.063
Base-Backbone interact. energy: -0.586
local terms energy: -58.086646
where:
bonds (distance) C4'-P energy: -9.826
bonds (distance) P-C4' energy: -10.664
flat angles C4'-P-C4' energy: -10.678
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -17.388
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: 4
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -199.510683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.510683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.510683 (E_RNA)
where:
Base-Base interactions energy: -133.544
where: short stacking energy: -62.637
Base-Backbone interact. energy: -0.287
local terms energy: -65.679635
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -16.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -195.584769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.584769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.584769 (E_RNA)
where:
Base-Base interactions energy: -128.958
where: short stacking energy: -59.618
Base-Backbone interact. energy: -0.634
local terms energy: -65.992713
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -15.539
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: 10
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -79.549997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.549997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.549997 (E_RNA)
where:
Base-Base interactions energy: -29.768
where: short stacking energy: -28.127
Base-Backbone interact. energy: -0.082
local terms energy: -49.700300
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -12.693
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -5.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -150.635800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.635800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.635800 (E_RNA)
where:
Base-Base interactions energy: -102.500
where: short stacking energy: -43.254
Base-Backbone interact. energy: -0.228
local terms energy: -47.907715
where:
bonds (distance) C4'-P energy: -7.418
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -5.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -69.313589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.313589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.313589 (E_RNA)
where:
Base-Base interactions energy: -19.287
where: short stacking energy: -15.854
Base-Backbone interact. energy: -0.437
local terms energy: -49.589361
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -6.037
tors. eta vs tors. theta energy: -4.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -216.130233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.130233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.130233 (E_RNA)
where:
Base-Base interactions energy: -145.398
where: short stacking energy: -65.292
Base-Backbone interact. energy: -0.028
local terms energy: -70.705047
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -17.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -212.790070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.790070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.790070 (E_RNA)
where:
Base-Base interactions energy: -144.048
where: short stacking energy: -68.148
Base-Backbone interact. energy: -0.479
local terms energy: -68.263099
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -18.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -202.549127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.549127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.549127 (E_RNA)
where:
Base-Base interactions energy: -137.101
where: short stacking energy: -62.272
Base-Backbone interact. energy: -0.000
local terms energy: -65.447219
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: -15.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -207.009342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.009342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.009342 (E_RNA)
where:
Base-Base interactions energy: -135.799
where: short stacking energy: -66.876
Base-Backbone interact. energy: -0.004
local terms energy: -71.206362
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -19.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -180.950599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.950599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.950599 (E_RNA)
where:
Base-Base interactions energy: -122.655
where: short stacking energy: -56.407
Base-Backbone interact. energy: -0.019
local terms energy: -58.276589
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: -14.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -198.865486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.865486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.865486 (E_RNA)
where:
Base-Base interactions energy: -134.657
where: short stacking energy: -65.298
Base-Backbone interact. energy: -0.033
local terms energy: -64.175175
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -17.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -191.066729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.066729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.066729 (E_RNA)
where:
Base-Base interactions energy: -130.945
where: short stacking energy: -59.743
Base-Backbone interact. energy: -0.007
local terms energy: -60.114684
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -10.906
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -16.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -162.591229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.591229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.591229 (E_RNA)
where:
Base-Base interactions energy: -101.313
where: short stacking energy: -54.189
Base-Backbone interact. energy: -0.080
local terms energy: -61.197808
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -14.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -101.929010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.929010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.929010 (E_RNA)
where:
Base-Base interactions energy: -54.288
where: short stacking energy: -33.495
Base-Backbone interact. energy: 3.195
local terms energy: -50.835181
where:
bonds (distance) C4'-P energy: -7.556
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -12.096
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -7.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -72.264979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.264979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.264979 (E_RNA)
where:
Base-Base interactions energy: -30.472
where: short stacking energy: -25.324
Base-Backbone interact. energy: -0.277
local terms energy: -41.515375
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -5.525
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: 1, replica: 7
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -207.878258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.878258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.878258 (E_RNA)
where:
Base-Base interactions energy: -138.865
where: short stacking energy: -60.742
Base-Backbone interact. energy: -0.003
local terms energy: -69.010529
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -16.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -209.929275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.929275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.929275 (E_RNA)
where:
Base-Base interactions energy: -148.688
where: short stacking energy: -63.712
Base-Backbone interact. energy: -0.121
local terms energy: -61.120389
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -18.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -207.818701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.818701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.818701 (E_RNA)
where:
Base-Base interactions energy: -137.866
where: short stacking energy: -63.554
Base-Backbone interact. energy: -0.500
local terms energy: -69.452565
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -19.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -199.756640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.756640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.756640 (E_RNA)
where:
Base-Base interactions energy: -139.755
where: short stacking energy: -62.914
Base-Backbone interact. energy: -0.393
local terms energy: -59.609437
where:
bonds (distance) C4'-P energy: -7.416
bonds (distance) P-C4' energy: -11.755
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -17.152
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: 1
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -203.184725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.184725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.184725 (E_RNA)
where:
Base-Base interactions energy: -139.928
where: short stacking energy: -63.225
Base-Backbone interact. energy: -0.002
local terms energy: -63.254895
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -16.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -187.808388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.808388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.808388 (E_RNA)
where:
Base-Base interactions energy: -129.625
where: short stacking energy: -50.292
Base-Backbone interact. energy: -0.002
local terms energy: -58.181023
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -13.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -188.430806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.430806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.430806 (E_RNA)
where:
Base-Base interactions energy: -130.510
where: short stacking energy: -56.928
Base-Backbone interact. energy: -1.011
local terms energy: -56.910213
where:
bonds (distance) C4'-P energy: -6.475
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -11.247
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -15.632
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: 3
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -185.333349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.333349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.333349 (E_RNA)
where:
Base-Base interactions energy: -124.701
where: short stacking energy: -54.527
Base-Backbone interact. energy: -0.018
local terms energy: -60.613929
where:
bonds (distance) C4'-P energy: -10.376
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -14.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -76.369848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.369848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.369848 (E_RNA)
where:
Base-Base interactions energy: -37.763
where: short stacking energy: -19.993
Base-Backbone interact. energy: -0.406
local terms energy: -38.200489
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -5.266
flat angles P-C4'-P energy: -5.912
tors. eta vs tors. theta energy: 0.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -76.058227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.058227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.058227 (E_RNA)
where:
Base-Base interactions energy: -37.394
where: short stacking energy: -29.687
Base-Backbone interact. energy: -0.012
local terms energy: -38.651994
where:
bonds (distance) C4'-P energy: -5.426
bonds (distance) P-C4' energy: -10.933
flat angles C4'-P-C4' energy: -7.346
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -5.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -216.009133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.009133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.009133 (E_RNA)
where:
Base-Base interactions energy: -146.308
where: short stacking energy: -71.321
Base-Backbone interact. energy: -0.203
local terms energy: -69.497959
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -20.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -214.371583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.371583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.371583 (E_RNA)
where:
Base-Base interactions energy: -152.711
where: short stacking energy: -59.988
Base-Backbone interact. energy: -0.219
local terms energy: -61.442326
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -12.206
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -7.325
tors. eta vs tors. theta energy: -17.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -204.792270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.792270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.792270 (E_RNA)
where:
Base-Base interactions energy: -143.570
where: short stacking energy: -57.457
Base-Backbone interact. energy: -0.468
local terms energy: -60.754480
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -13.018
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: 1
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -205.289622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.289622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.289622 (E_RNA)
where:
Base-Base interactions energy: -134.442
where: short stacking energy: -63.682
Base-Backbone interact. energy: -0.057
local terms energy: -70.790433
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -17.314
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: 5
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -202.236091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.236091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.236091 (E_RNA)
where:
Base-Base interactions energy: -138.062
where: short stacking energy: -57.989
Base-Backbone interact. energy: -0.019
local terms energy: -64.154694
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -6.390
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: 4
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -191.801256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.801256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.801256 (E_RNA)
where:
Base-Base interactions energy: -131.326
where: short stacking energy: -55.729
Base-Backbone interact. energy: -0.077
local terms energy: -60.398386
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -14.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -188.448733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.448733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.448733 (E_RNA)
where:
Base-Base interactions energy: -129.378
where: short stacking energy: -53.069
Base-Backbone interact. energy: -0.046
local terms energy: -59.024821
where:
bonds (distance) C4'-P energy: -10.281
bonds (distance) P-C4' energy: -10.799
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -12.717
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: 10
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -81.422715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.422715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.422715 (E_RNA)
where:
Base-Base interactions energy: -31.791
where: short stacking energy: -31.791
Base-Backbone interact. energy: -0.007
local terms energy: -49.623986
where:
bonds (distance) C4'-P energy: -9.172
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -10.725
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -6.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -186.232153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.232153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.232153 (E_RNA)
where:
Base-Base interactions energy: -130.442
where: short stacking energy: -52.584
Base-Backbone interact. energy: -0.005
local terms energy: -55.784609
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -11.943
flat angles C4'-P-C4' energy: -9.342
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -14.237
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: 2
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -67.837181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.837181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.837181 (E_RNA)
where:
Base-Base interactions energy: -21.246
where: short stacking energy: -13.722
Base-Backbone interact. energy: -0.758
local terms energy: -45.833610
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -0.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -213.044113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.044113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.044113 (E_RNA)
where:
Base-Base interactions energy: -145.494
where: short stacking energy: -67.986
Base-Backbone interact. energy: -0.011
local terms energy: -67.539276
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -12.272
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -16.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -206.260178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.260178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.260178 (E_RNA)
where:
Base-Base interactions energy: -142.456
where: short stacking energy: -64.147
Base-Backbone interact. energy: -0.638
local terms energy: -63.166178
where:
bonds (distance) C4'-P energy: -8.705
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -17.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -199.060563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.060563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.060563 (E_RNA)
where:
Base-Base interactions energy: -134.366
where: short stacking energy: -58.248
Base-Backbone interact. energy: -0.045
local terms energy: -64.649645
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -10.825
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -16.099
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: 9
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -203.321065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.321065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.321065 (E_RNA)
where:
Base-Base interactions energy: -140.041
where: short stacking energy: -66.867
Base-Backbone interact. energy: -0.192
local terms energy: -63.088896
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -10.791
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -17.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -194.843086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.843086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.843086 (E_RNA)
where:
Base-Base interactions energy: -135.760
where: short stacking energy: -57.325
Base-Backbone interact. energy: -0.003
local terms energy: -59.079362
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -11.472
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -12.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -198.964598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.964598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.964598 (E_RNA)
where:
Base-Base interactions energy: -130.485
where: short stacking energy: -57.689
Base-Backbone interact. energy: -0.278
local terms energy: -68.201574
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -17.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -187.976650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.976650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.976650 (E_RNA)
where:
Base-Base interactions energy: -134.753
where: short stacking energy: -52.009
Base-Backbone interact. energy: -0.107
local terms energy: -53.116026
where:
bonds (distance) C4'-P energy: -8.935
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -9.287
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -14.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -83.475872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.475872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.475872 (E_RNA)
where:
Base-Base interactions energy: -37.092
where: short stacking energy: -36.185
Base-Backbone interact. energy: 0.563
local terms energy: -46.946806
where:
bonds (distance) C4'-P energy: -9.626
bonds (distance) P-C4' energy: -11.811
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -7.122
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: 9, replica: 3
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -174.975893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.975893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.975893 (E_RNA)
where:
Base-Base interactions energy: -112.885
where: short stacking energy: -46.704
Base-Backbone interact. energy: -0.088
local terms energy: -62.002801
where:
bonds (distance) C4'-P energy: -8.886
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -14.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -65.019746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.019746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.019746 (E_RNA)
where:
Base-Base interactions energy: -26.614
where: short stacking energy: -11.816
Base-Backbone interact. energy: -1.434
local terms energy: -36.971719
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -5.877
flat angles P-C4'-P energy: -6.127
tors. eta vs tors. theta energy: 1.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -216.762864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.762864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.762864 (E_RNA)
where:
Base-Base interactions energy: -147.531
where: short stacking energy: -61.126
Base-Backbone interact. energy: -0.528
local terms energy: -68.703842
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -17.609
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: 7
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -205.441160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.441160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.441160 (E_RNA)
where:
Base-Base interactions energy: -144.606
where: short stacking energy: -64.835
Base-Backbone interact. energy: -0.001
local terms energy: -60.833743
where:
bonds (distance) C4'-P energy: -9.463
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -17.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -210.905288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.905288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.905288 (E_RNA)
where:
Base-Base interactions energy: -145.589
where: short stacking energy: -61.472
Base-Backbone interact. energy: -0.002
local terms energy: -65.314026
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -15.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -193.376632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.376632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.376632 (E_RNA)
where:
Base-Base interactions energy: -133.175
where: short stacking energy: -52.086
Base-Backbone interact. energy: -0.002
local terms energy: -60.199951
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -4.127
tors. eta vs tors. theta energy: -18.021
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: 9
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -205.419040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.419040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.419040 (E_RNA)
where:
Base-Base interactions energy: -137.134
where: short stacking energy: -61.472
Base-Backbone interact. energy: -0.001
local terms energy: -68.284482
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -18.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -194.938044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.938044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.938044 (E_RNA)
where:
Base-Base interactions energy: -131.013
where: short stacking energy: -55.294
Base-Backbone interact. energy: -0.128
local terms energy: -63.796869
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -10.735
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -15.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -194.410785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.410785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.410785 (E_RNA)
where:
Base-Base interactions energy: -134.409
where: short stacking energy: -58.532
Base-Backbone interact. energy: -0.001
local terms energy: -60.000354
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -13.531
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: 3
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -186.385981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.385981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.385981 (E_RNA)
where:
Base-Base interactions energy: -130.188
where: short stacking energy: -59.572
Base-Backbone interact. energy: -0.001
local terms energy: -56.197081
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -11.629
flat angles C4'-P-C4' energy: -10.386
flat angles P-C4'-P energy: -7.341
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: 9, replica: 10
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -110.169972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.169972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.169972 (E_RNA)
where:
Base-Base interactions energy: -64.671
where: short stacking energy: -27.391
Base-Backbone interact. energy: -1.735
local terms energy: -43.764446
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -12.674
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -3.579
tors. eta vs tors. theta energy: -2.625
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: 315
Temperature: 1.350000
Total energy: -70.109435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.109435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.109435 (E_RNA)
where:
Base-Base interactions energy: -25.781
where: short stacking energy: -19.935
Base-Backbone interact. energy: -0.103
local terms energy: -44.225275
where:
bonds (distance) C4'-P energy: -8.881
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -10.183
flat angles P-C4'-P energy: -4.829
tors. eta vs tors. theta energy: -5.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -208.974858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.974858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.974858 (E_RNA)
where:
Base-Base interactions energy: -141.735
where: short stacking energy: -66.979
Base-Backbone interact. energy: -0.922
local terms energy: -66.317219
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -17.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -206.630793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.630793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.630793 (E_RNA)
where:
Base-Base interactions energy: -140.646
where: short stacking energy: -62.658
Base-Backbone interact. energy: -0.331
local terms energy: -65.653410
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -13.407
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: 3, replica: 1
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -206.541084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.541084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.541084 (E_RNA)
where:
Base-Base interactions energy: -140.798
where: short stacking energy: -60.811
Base-Backbone interact. energy: 0.105
local terms energy: -65.847477
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -17.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -200.734955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.734955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.734955 (E_RNA)
where:
Base-Base interactions energy: -132.691
where: short stacking energy: -62.847
Base-Backbone interact. energy: -0.049
local terms energy: -67.995025
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -17.028
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: 9
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -201.297290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.297290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.297290 (E_RNA)
where:
Base-Base interactions energy: -136.013
where: short stacking energy: -63.332
Base-Backbone interact. energy: -0.296
local terms energy: -64.987669
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -10.685
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -14.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -190.748270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.748270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.748270 (E_RNA)
where:
Base-Base interactions energy: -132.995
where: short stacking energy: -57.416
Base-Backbone interact. energy: -0.003
local terms energy: -57.750096
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -5.624
tors. eta vs tors. theta energy: -16.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -190.407621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.407621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.407621 (E_RNA)
where:
Base-Base interactions energy: -131.539
where: short stacking energy: -63.662
Base-Backbone interact. energy: -0.005
local terms energy: -58.863940
where:
bonds (distance) C4'-P energy: -8.484
bonds (distance) P-C4' energy: -10.530
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -15.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -174.308312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.308312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.308312 (E_RNA)
where:
Base-Base interactions energy: -119.556
where: short stacking energy: -44.880
Base-Backbone interact. energy: -1.081
local terms energy: -53.670619
where:
bonds (distance) C4'-P energy: -9.333
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -10.788
flat angles P-C4'-P energy: -6.260
tors. eta vs tors. theta energy: -14.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -94.166101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.166101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.166101 (E_RNA)
where:
Base-Base interactions energy: -49.156
where: short stacking energy: -26.282
Base-Backbone interact. energy: -0.044
local terms energy: -44.965288
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -10.352
flat angles C4'-P-C4' energy: -7.193
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -5.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -69.374135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.374135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.374135 (E_RNA)
where:
Base-Base interactions energy: -31.648
where: short stacking energy: -24.077
Base-Backbone interact. energy: -0.333
local terms energy: -37.393173
where:
bonds (distance) C4'-P energy: -8.719
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -6.504
flat angles P-C4'-P energy: -6.621
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: 7
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -210.332081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.332081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.332081 (E_RNA)
where:
Base-Base interactions energy: -145.655
where: short stacking energy: -60.342
Base-Backbone interact. energy: -0.001
local terms energy: -64.675506
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -15.892
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: 1
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -217.700446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.700446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.700446 (E_RNA)
where:
Base-Base interactions energy: -145.847
where: short stacking energy: -66.125
Base-Backbone interact. energy: -0.577
local terms energy: -71.276127
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -19.101
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: 3, replica: 6
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -204.791439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.791439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.791439 (E_RNA)
where:
Base-Base interactions energy: -136.226
where: short stacking energy: -64.564
Base-Backbone interact. energy: -0.001
local terms energy: -68.564003
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -16.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -207.681271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.681271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.681271 (E_RNA)
where:
Base-Base interactions energy: -137.939
where: short stacking energy: -65.369
Base-Backbone interact. energy: -0.001
local terms energy: -69.741131
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -19.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -202.676315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.676315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.676315 (E_RNA)
where:
Base-Base interactions energy: -138.784
where: short stacking energy: -62.820
Base-Backbone interact. energy: 0.089
local terms energy: -63.981475
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -16.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -194.910200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.910200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.910200 (E_RNA)
where:
Base-Base interactions energy: -138.078
where: short stacking energy: -57.044
Base-Backbone interact. energy: -0.005
local terms energy: -56.827165
where:
bonds (distance) C4'-P energy: -10.367
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -10.002
flat angles P-C4'-P energy: -5.140
tors. eta vs tors. theta energy: -17.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -197.306353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.306353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.306353 (E_RNA)
where:
Base-Base interactions energy: -133.792
where: short stacking energy: -56.995
Base-Backbone interact. energy: -0.001
local terms energy: -63.513561
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -15.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -192.428808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.428808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.428808 (E_RNA)
where:
Base-Base interactions energy: -135.036
where: short stacking energy: -64.279
Base-Backbone interact. energy: -0.165
local terms energy: -57.228374
where:
bonds (distance) C4'-P energy: -6.811
bonds (distance) P-C4' energy: -11.569
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: -15.612
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: 10
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -87.481766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.481766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.481766 (E_RNA)
where:
Base-Base interactions energy: -49.063
where: short stacking energy: -22.034
Base-Backbone interact. energy: -0.336
local terms energy: -38.082723
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -13.386
flat angles C4'-P-C4' energy: -9.419
flat angles P-C4'-P energy: -4.559
tors. eta vs tors. theta energy: 1.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -71.010602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.010602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.010602 (E_RNA)
where:
Base-Base interactions energy: -35.152
where: short stacking energy: -17.837
Base-Backbone interact. energy: -0.068
local terms energy: -35.790598
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -7.620
flat angles P-C4'-P energy: -3.162
tors. eta vs tors. theta energy: -0.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -213.333611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.333611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.333611 (E_RNA)
where:
Base-Base interactions energy: -146.529
where: short stacking energy: -67.993
Base-Backbone interact. energy: -0.003
local terms energy: -66.801554
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -9.122
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -19.633
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: 2, replica: 7
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -208.909480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.909480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.909480 (E_RNA)
where:
Base-Base interactions energy: -143.798
where: short stacking energy: -58.886
Base-Backbone interact. energy: -0.577
local terms energy: -64.535095
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -14.347
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: 9
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -209.671245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.671245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.671245 (E_RNA)
where:
Base-Base interactions energy: -139.335
where: short stacking energy: -64.511
Base-Backbone interact. energy: -2.199
local terms energy: -68.137153
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -17.449
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: 6
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -206.353581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.353581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.353581 (E_RNA)
where:
Base-Base interactions energy: -142.834
where: short stacking energy: -65.008
Base-Backbone interact. energy: -0.044
local terms energy: -63.475509
where:
bonds (distance) C4'-P energy: -7.937
bonds (distance) P-C4' energy: -11.845
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -10.680
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: 4
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -194.668759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.668759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.668759 (E_RNA)
where:
Base-Base interactions energy: -128.672
where: short stacking energy: -63.492
Base-Backbone interact. energy: -1.152
local terms energy: -64.844676
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -9.973
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -17.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -191.585205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.585205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.585205 (E_RNA)
where:
Base-Base interactions energy: -130.171
where: short stacking energy: -62.754
Base-Backbone interact. energy: -0.037
local terms energy: -61.376666
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -11.974
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -15.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -178.388224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.388224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.388224 (E_RNA)
where:
Base-Base interactions energy: -116.800
where: short stacking energy: -53.303
Base-Backbone interact. energy: -0.057
local terms energy: -61.530807
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -13.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -184.818825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.818825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.818825 (E_RNA)
where:
Base-Base interactions energy: -126.251
where: short stacking energy: -62.627
Base-Backbone interact. energy: -0.015
local terms energy: -58.553250
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -10.749
flat angles P-C4'-P energy: -6.936
tors. eta vs tors. theta energy: -13.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -76.030707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.030707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.030707 (E_RNA)
where:
Base-Base interactions energy: -38.892
where: short stacking energy: -12.951
Base-Backbone interact. energy: -0.397
local terms energy: -36.741713
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -8.864
flat angles P-C4'-P energy: -6.731
tors. eta vs tors. theta energy: 4.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -86.420521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.420521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.420521 (E_RNA)
where:
Base-Base interactions energy: -42.763
where: short stacking energy: -42.763
Base-Backbone interact. energy: 0.026
local terms energy: -43.683318
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -8.661
flat angles C4'-P-C4' energy: -10.709
flat angles P-C4'-P energy: -3.531
tors. eta vs tors. theta energy: -10.724
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: 1, replica: 1
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -205.059844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.059844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.059844 (E_RNA)
where:
Base-Base interactions energy: -140.942
where: short stacking energy: -59.854
Base-Backbone interact. energy: -0.070
local terms energy: -64.048505
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -13.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -207.807874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.807874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.807874 (E_RNA)
where:
Base-Base interactions energy: -140.959
where: short stacking energy: -59.267
Base-Backbone interact. energy: -0.101
local terms energy: -66.748585
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -7.334
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: 3, replica: 9
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -205.977441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.977441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.977441 (E_RNA)
where:
Base-Base interactions energy: -144.402
where: short stacking energy: -47.904
Base-Backbone interact. energy: -0.163
local terms energy: -61.412070
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -10.894
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -15.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -198.469205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.469205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.469205 (E_RNA)
where:
Base-Base interactions energy: -132.954
where: short stacking energy: -59.453
Base-Backbone interact. energy: -0.002
local terms energy: -65.513245
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -16.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -195.255818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.255818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.255818 (E_RNA)
where:
Base-Base interactions energy: -136.593
where: short stacking energy: -59.860
Base-Backbone interact. energy: 0.156
local terms energy: -58.818292
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -15.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -188.109093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.109093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.109093 (E_RNA)
where:
Base-Base interactions energy: -126.008
where: short stacking energy: -53.723
Base-Backbone interact. energy: -0.042
local terms energy: -62.059222
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -9.364
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -10.929
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: 7, replica: 3
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -190.650731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.650731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.650731 (E_RNA)
where:
Base-Base interactions energy: -125.441
where: short stacking energy: -53.305
Base-Backbone interact. energy: -0.037
local terms energy: -65.172820
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -13.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -183.913648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.913648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.913648 (E_RNA)
where:
Base-Base interactions energy: -126.048
where: short stacking energy: -54.211
Base-Backbone interact. energy: 0.034
local terms energy: -57.899464
where:
bonds (distance) C4'-P energy: -13.318
bonds (distance) P-C4' energy: -11.592
flat angles C4'-P-C4' energy: -12.197
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -11.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -74.870301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.870301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.870301 (E_RNA)
where:
Base-Base interactions energy: -39.102
where: short stacking energy: -19.576
Base-Backbone interact. energy: -0.180
local terms energy: -35.588888
where:
bonds (distance) C4'-P energy: -10.211
bonds (distance) P-C4' energy: -11.187
flat angles C4'-P-C4' energy: -8.909
flat angles P-C4'-P energy: -5.950
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: 10, replica: 10
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -68.157069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.157069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.157069 (E_RNA)
where:
Base-Base interactions energy: -20.451
where: short stacking energy: -20.451
Base-Backbone interact. energy: -0.183
local terms energy: -47.522918
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -11.698
flat angles C4'-P-C4' energy: -11.043
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -2.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -203.605138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.605138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.605138 (E_RNA)
where:
Base-Base interactions energy: -140.696
where: short stacking energy: -57.001
Base-Backbone interact. energy: -0.374
local terms energy: -62.535854
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -13.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -211.190135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.190135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.190135 (E_RNA)
where:
Base-Base interactions energy: -140.593
where: short stacking energy: -71.071
Base-Backbone interact. energy: -0.001
local terms energy: -70.596515
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -17.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -205.487043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.487043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.487043 (E_RNA)
where:
Base-Base interactions energy: -137.974
where: short stacking energy: -58.895
Base-Backbone interact. energy: -0.685
local terms energy: -66.828401
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -12.153
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -17.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -204.610040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.610040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.610040 (E_RNA)
where:
Base-Base interactions energy: -135.671
where: short stacking energy: -64.134
Base-Backbone interact. energy: -0.158
local terms energy: -68.781291
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -16.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -197.385046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.385046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.385046 (E_RNA)
where:
Base-Base interactions energy: -137.514
where: short stacking energy: -53.904
Base-Backbone interact. energy: -0.086
local terms energy: -59.785605
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -12.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -188.578083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.578083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.578083 (E_RNA)
where:
Base-Base interactions energy: -131.171
where: short stacking energy: -59.510
Base-Backbone interact. energy: -0.131
local terms energy: -57.275600
where:
bonds (distance) C4'-P energy: -9.631
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: -14.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -190.336001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.336001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.336001 (E_RNA)
where:
Base-Base interactions energy: -131.251
where: short stacking energy: -60.859
Base-Backbone interact. energy: -0.001
local terms energy: -59.084827
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -11.219
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -13.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -177.337397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.337397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.337397 (E_RNA)
where:
Base-Base interactions energy: -116.309
where: short stacking energy: -45.123
Base-Backbone interact. energy: -0.176
local terms energy: -60.852681
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -12.178
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -12.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -78.388752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.388752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.388752 (E_RNA)
where:
Base-Base interactions energy: -29.007
where: short stacking energy: -23.134
Base-Backbone interact. energy: -0.099
local terms energy: -49.282345
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -10.914
flat angles P-C4'-P energy: -7.353
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: 2
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -77.364315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.364315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.364315 (E_RNA)
where:
Base-Base interactions energy: -30.583
where: short stacking energy: -29.460
Base-Backbone interact. energy: 0.346
local terms energy: -47.127737
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -10.489
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -5.103
tors. eta vs tors. theta energy: -5.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -214.988369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.988369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.988369 (E_RNA)
where:
Base-Base interactions energy: -140.506
where: short stacking energy: -63.998
Base-Backbone interact. energy: -0.048
local terms energy: -74.434589
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -18.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -208.027680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.027680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.027680 (E_RNA)
where:
Base-Base interactions energy: -143.812
where: short stacking energy: -65.825
Base-Backbone interact. energy: -0.621
local terms energy: -63.594831
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -6.834
tors. eta vs tors. theta energy: -17.520
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: 1
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -200.588384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.588384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.588384 (E_RNA)
where:
Base-Base interactions energy: -133.900
where: short stacking energy: -65.937
Base-Backbone interact. energy: -0.839
local terms energy: -65.849270
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -10.143
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: 4, replica: 6
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -198.393745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.393745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.393745 (E_RNA)
where:
Base-Base interactions energy: -138.968
where: short stacking energy: -66.261
Base-Backbone interact. energy: -0.204
local terms energy: -59.220972
where:
bonds (distance) C4'-P energy: -8.976
bonds (distance) P-C4' energy: -10.857
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -16.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -192.001414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.001414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.001414 (E_RNA)
where:
Base-Base interactions energy: -129.774
where: short stacking energy: -56.185
Base-Backbone interact. energy: -0.002
local terms energy: -62.224986
where:
bonds (distance) C4'-P energy: -10.290
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -15.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -186.850606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.850606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.850606 (E_RNA)
where:
Base-Base interactions energy: -127.191
where: short stacking energy: -50.674
Base-Backbone interact. energy: -0.073
local terms energy: -59.586522
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -10.455
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -13.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -197.076726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.076726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.076726 (E_RNA)
where:
Base-Base interactions energy: -134.930
where: short stacking energy: -64.677
Base-Backbone interact. energy: -0.239
local terms energy: -61.907866
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -15.957
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: 3
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -179.516768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.516768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.516768 (E_RNA)
where:
Base-Base interactions energy: -125.545
where: short stacking energy: -50.521
Base-Backbone interact. energy: -0.025
local terms energy: -53.946793
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -10.301
flat angles P-C4'-P energy: -6.285
tors. eta vs tors. theta energy: -13.438
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: 10
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -80.209097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.209097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.209097 (E_RNA)
where:
Base-Base interactions energy: -33.130
where: short stacking energy: -29.366
Base-Backbone interact. energy: -0.022
local terms energy: -47.057366
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -4.533
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: 10, replica: 2
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -74.401173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.401173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.401173 (E_RNA)
where:
Base-Base interactions energy: -22.424
where: short stacking energy: -22.424
Base-Backbone interact. energy: -0.006
local terms energy: -51.971154
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -13.965
flat angles C4'-P-C4' energy: -9.071
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -5.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -213.074284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.074284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.074284 (E_RNA)
where:
Base-Base interactions energy: -142.296
where: short stacking energy: -64.094
Base-Backbone interact. energy: -0.013
local terms energy: -70.765267
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -17.086
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: 9
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -210.477754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.477754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.477754 (E_RNA)
where:
Base-Base interactions energy: -147.724
where: short stacking energy: -61.484
Base-Backbone interact. energy: -0.043
local terms energy: -62.710834
where:
bonds (distance) C4'-P energy: -9.126
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -15.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -196.472949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.472949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.472949 (E_RNA)
where:
Base-Base interactions energy: -135.154
where: short stacking energy: -56.188
Base-Backbone interact. energy: -0.036
local terms energy: -61.282445
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -14.640
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -6.932
tors. eta vs tors. theta energy: -13.752
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: 1
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -208.777090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.777090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.777090 (E_RNA)
where:
Base-Base interactions energy: -139.217
where: short stacking energy: -62.393
Base-Backbone interact. energy: -0.000
local terms energy: -69.559199
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -16.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -196.965246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.965246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.965246 (E_RNA)
where:
Base-Base interactions energy: -135.464
where: short stacking energy: -60.980
Base-Backbone interact. energy: -0.206
local terms energy: -61.295427
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -7.672
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -9.349
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: 6, replica: 8
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -188.388238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.388238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.388238 (E_RNA)
where:
Base-Base interactions energy: -132.615
where: short stacking energy: -55.874
Base-Backbone interact. energy: -0.701
local terms energy: -55.072331
where:
bonds (distance) C4'-P energy: -8.418
bonds (distance) P-C4' energy: -14.066
flat angles C4'-P-C4' energy: -11.166
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: -14.762
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: 3
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -207.368477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.368477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.368477 (E_RNA)
where:
Base-Base interactions energy: -141.843
where: short stacking energy: -62.151
Base-Backbone interact. energy: 2.769
local terms energy: -68.294984
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -15.206
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: 5
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -171.008287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.008287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.008287 (E_RNA)
where:
Base-Base interactions energy: -121.284
where: short stacking energy: -52.173
Base-Backbone interact. energy: -0.021
local terms energy: -49.703576
where:
bonds (distance) C4'-P energy: -6.460
bonds (distance) P-C4' energy: -9.539
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -10.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -66.916640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.916640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.916640 (E_RNA)
where:
Base-Base interactions energy: -27.486
where: short stacking energy: -21.470
Base-Backbone interact. energy: -0.241
local terms energy: -39.190111
where:
bonds (distance) C4'-P energy: -11.065
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -3.608
tors. eta vs tors. theta energy: 0.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -77.251578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.251578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.251578 (E_RNA)
where:
Base-Base interactions energy: -32.566
where: short stacking energy: -24.194
Base-Backbone interact. energy: 0.081
local terms energy: -44.767171
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -10.200
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: 0.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -209.549113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.549113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.549113 (E_RNA)
where:
Base-Base interactions energy: -139.198
where: short stacking energy: -65.586
Base-Backbone interact. energy: -0.002
local terms energy: -70.348660
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -16.447
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: 323
Temperature: 0.950000
Total energy: -195.349616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.349616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.349616 (E_RNA)
where:
Base-Base interactions energy: -133.344
where: short stacking energy: -55.149
Base-Backbone interact. energy: -0.254
local terms energy: -61.751782
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -12.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -207.181776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.181776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.181776 (E_RNA)
where:
Base-Base interactions energy: -151.273
where: short stacking energy: -58.857
Base-Backbone interact. energy: 0.697
local terms energy: -56.606194
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -11.107
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -11.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -204.082270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.082270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.082270 (E_RNA)
where:
Base-Base interactions energy: -136.229
where: short stacking energy: -55.122
Base-Backbone interact. energy: 0.406
local terms energy: -68.259573
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -10.521
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -12.234
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: 5, replica: 1
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -198.828794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.828794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.828794 (E_RNA)
where:
Base-Base interactions energy: -139.575
where: short stacking energy: -51.871
Base-Backbone interact. energy: -0.761
local terms energy: -58.492137
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -11.739
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -12.689
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: 8
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -183.250777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.250777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.250777 (E_RNA)
where:
Base-Base interactions energy: -123.324
where: short stacking energy: -53.330
Base-Backbone interact. energy: -0.055
local terms energy: -59.871306
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -11.642
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -11.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -186.842330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.842330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.842330 (E_RNA)
where:
Base-Base interactions energy: -132.160
where: short stacking energy: -61.217
Base-Backbone interact. energy: -0.005
local terms energy: -54.676562
where:
bonds (distance) C4'-P energy: -8.758
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -1.618
tors. eta vs tors. theta energy: -15.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -184.444080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.444080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.444080 (E_RNA)
where:
Base-Base interactions energy: -121.144
where: short stacking energy: -54.769
Base-Backbone interact. energy: -0.502
local terms energy: -62.798258
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -15.794
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: 9, replica: 2
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -66.293711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.293711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.293711 (E_RNA)
where:
Base-Base interactions energy: -31.232
where: short stacking energy: -18.109
Base-Backbone interact. energy: -0.012
local terms energy: -35.049190
where:
bonds (distance) C4'-P energy: -9.502
bonds (distance) P-C4' energy: -7.157
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -5.165
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: 10, replica: 10
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -69.346197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.346197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.346197 (E_RNA)
where:
Base-Base interactions energy: -32.850
where: short stacking energy: -32.850
Base-Backbone interact. energy: -0.113
local terms energy: -36.383240
where:
bonds (distance) C4'-P energy: -8.994
bonds (distance) P-C4' energy: -7.160
flat angles C4'-P-C4' energy: -10.507
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -2.694
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: 324
Temperature: 0.900000
Total energy: -214.239363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.239363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.239363 (E_RNA)
where:
Base-Base interactions energy: -144.001
where: short stacking energy: -68.417
Base-Backbone interact. energy: -0.002
local terms energy: -70.236639
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -18.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -212.450154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.450154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.450154 (E_RNA)
where:
Base-Base interactions energy: -139.264
where: short stacking energy: -62.649
Base-Backbone interact. energy: -1.231
local terms energy: -71.955176
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -17.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -207.941642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.941642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.941642 (E_RNA)
where:
Base-Base interactions energy: -139.710
where: short stacking energy: -69.909
Base-Backbone interact. energy: -0.053
local terms energy: -68.178112
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -19.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -203.674605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.674605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.674605 (E_RNA)
where:
Base-Base interactions energy: -136.948
where: short stacking energy: -59.087
Base-Backbone interact. energy: 0.329
local terms energy: -67.055472
where:
bonds (distance) C4'-P energy: -10.257
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -17.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -199.225986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.225986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.225986 (E_RNA)
where:
Base-Base interactions energy: -135.517
where: short stacking energy: -65.032
Base-Backbone interact. energy: -0.209
local terms energy: -63.499239
where:
bonds (distance) C4'-P energy: -7.773
bonds (distance) P-C4' energy: -11.421
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -19.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -188.744747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.744747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.744747 (E_RNA)
where:
Base-Base interactions energy: -128.663
where: short stacking energy: -49.007
Base-Backbone interact. energy: -0.096
local terms energy: -59.985141
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -13.556
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: 3
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -196.561371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.561371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.561371 (E_RNA)
where:
Base-Base interactions energy: -131.579
where: short stacking energy: -57.805
Base-Backbone interact. energy: -0.001
local terms energy: -64.981893
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -16.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -192.023180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.023180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.023180 (E_RNA)
where:
Base-Base interactions energy: -128.147
where: short stacking energy: -59.821
Base-Backbone interact. energy: -0.023
local terms energy: -63.853332
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -10.357
flat angles C4'-P-C4' energy: -9.215
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -17.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -85.259295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.259295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.259295 (E_RNA)
where:
Base-Base interactions energy: -36.142
where: short stacking energy: -32.139
Base-Backbone interact. energy: -0.179
local terms energy: -48.938464
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -7.052
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -7.541
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: 2
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -65.168762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.168762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.168762 (E_RNA)
where:
Base-Base interactions energy: -28.215
where: short stacking energy: -23.395
Base-Backbone interact. energy: -0.286
local terms energy: -36.667399
where:
bonds (distance) C4'-P energy: -8.973
bonds (distance) P-C4' energy: -9.716
flat angles C4'-P-C4' energy: -8.871
flat angles P-C4'-P energy: -5.713
tors. eta vs tors. theta energy: -3.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -209.874770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.874770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.874770 (E_RNA)
where:
Base-Base interactions energy: -142.841
where: short stacking energy: -65.631
Base-Backbone interact. energy: -0.005
local terms energy: -67.028897
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -18.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -208.380514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.380514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.380514 (E_RNA)
where:
Base-Base interactions energy: -138.761
where: short stacking energy: -63.508
Base-Backbone interact. energy: -0.001
local terms energy: -69.618247
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -17.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -204.141468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.141468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.141468 (E_RNA)
where:
Base-Base interactions energy: -137.557
where: short stacking energy: -65.909
Base-Backbone interact. energy: -0.304
local terms energy: -66.280412
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -17.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -201.449099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.449099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.449099 (E_RNA)
where:
Base-Base interactions energy: -131.110
where: short stacking energy: -58.007
Base-Backbone interact. energy: -0.247
local terms energy: -70.092730
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: -17.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -190.843572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.843572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.843572 (E_RNA)
where:
Base-Base interactions energy: -131.834
where: short stacking energy: -55.587
Base-Backbone interact. energy: -0.820
local terms energy: -58.189087
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -12.587
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -13.375
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: 3
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -195.206544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.206544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.206544 (E_RNA)
where:
Base-Base interactions energy: -133.439
where: short stacking energy: -60.438
Base-Backbone interact. energy: -0.240
local terms energy: -61.527746
where:
bonds (distance) C4'-P energy: -5.643
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -9.427
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: 7, replica: 8
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -192.577208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.577208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.577208 (E_RNA)
where:
Base-Base interactions energy: -124.553
where: short stacking energy: -56.956
Base-Backbone interact. energy: -0.000
local terms energy: -68.023768
where:
bonds (distance) C4'-P energy: -10.516
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -16.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -192.715641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.715641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.715641 (E_RNA)
where:
Base-Base interactions energy: -135.721
where: short stacking energy: -66.566
Base-Backbone interact. energy: -0.011
local terms energy: -56.983899
where:
bonds (distance) C4'-P energy: -8.778
bonds (distance) P-C4' energy: -8.319
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -16.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -74.639287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.639287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.639287 (E_RNA)
where:
Base-Base interactions energy: -28.427
where: short stacking energy: -27.298
Base-Backbone interact. energy: 0.286
local terms energy: -46.499192
where:
bonds (distance) C4'-P energy: -9.205
bonds (distance) P-C4' energy: -10.437
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -4.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -68.468930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.468930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.468930 (E_RNA)
where:
Base-Base interactions energy: -24.801
where: short stacking energy: -24.801
Base-Backbone interact. energy: 0.491
local terms energy: -44.158573
where:
bonds (distance) C4'-P energy: -8.497
bonds (distance) P-C4' energy: -12.136
flat angles C4'-P-C4' energy: -9.656
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -6.781
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: 4
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -209.268724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.268724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.268724 (E_RNA)
where:
Base-Base interactions energy: -137.987
where: short stacking energy: -59.432
Base-Backbone interact. energy: -0.003
local terms energy: -71.279455
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -19.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -212.736547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.736547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.736547 (E_RNA)
where:
Base-Base interactions energy: -142.908
where: short stacking energy: -59.794
Base-Backbone interact. energy: -0.097
local terms energy: -69.731393
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -16.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -200.601487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.601487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.601487 (E_RNA)
where:
Base-Base interactions energy: -138.305
where: short stacking energy: -62.062
Base-Backbone interact. energy: -0.789
local terms energy: -61.507660
where:
bonds (distance) C4'-P energy: -10.379
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -5.012
tors. eta vs tors. theta energy: -17.829
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: 6
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -200.358809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.358809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.358809 (E_RNA)
where:
Base-Base interactions energy: -137.583
where: short stacking energy: -66.105
Base-Backbone interact. energy: -0.149
local terms energy: -62.626862
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -9.825
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -16.537
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: 3
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -194.146079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.146079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.146079 (E_RNA)
where:
Base-Base interactions energy: -140.953
where: short stacking energy: -61.540
Base-Backbone interact. energy: -0.215
local terms energy: -52.978619
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -7.213
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -6.181
tors. eta vs tors. theta energy: -14.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -190.054462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.054462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.054462 (E_RNA)
where:
Base-Base interactions energy: -135.113
where: short stacking energy: -58.188
Base-Backbone interact. energy: -0.001
local terms energy: -54.940064
where:
bonds (distance) C4'-P energy: -5.764
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -15.476
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: 5
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -187.476352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.476352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.476352 (E_RNA)
where:
Base-Base interactions energy: -128.589
where: short stacking energy: -58.716
Base-Backbone interact. energy: -0.126
local terms energy: -58.761187
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -10.008
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -12.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -182.626799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.626799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.626799 (E_RNA)
where:
Base-Base interactions energy: -120.793
where: short stacking energy: -53.155
Base-Backbone interact. energy: -0.288
local terms energy: -61.545518
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -11.020
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -14.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -68.622028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.622028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.622028 (E_RNA)
where:
Base-Base interactions energy: -19.771
where: short stacking energy: -19.771
Base-Backbone interact. energy: -0.002
local terms energy: -48.849127
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -10.800
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -1.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -68.078435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.078435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.078435 (E_RNA)
where:
Base-Base interactions energy: -25.837
where: short stacking energy: -25.837
Base-Backbone interact. energy: -0.068
local terms energy: -42.173078
where:
bonds (distance) C4'-P energy: -7.482
bonds (distance) P-C4' energy: -11.332
flat angles C4'-P-C4' energy: -9.127
flat angles P-C4'-P energy: -5.750
tors. eta vs tors. theta energy: -8.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -211.201992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.201992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.201992 (E_RNA)
where:
Base-Base interactions energy: -143.763
where: short stacking energy: -61.276
Base-Backbone interact. energy: -0.001
local terms energy: -67.438238
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -10.736
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -17.199
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: 7
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -210.596645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.596645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.596645 (E_RNA)
where:
Base-Base interactions energy: -141.981
where: short stacking energy: -68.273
Base-Backbone interact. energy: -0.075
local terms energy: -68.541023
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -16.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -199.352380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.352380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.352380 (E_RNA)
where:
Base-Base interactions energy: -142.254
where: short stacking energy: -56.154
Base-Backbone interact. energy: -0.308
local terms energy: -56.790408
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -4.080
tors. eta vs tors. theta energy: -11.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -197.164046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.164046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.164046 (E_RNA)
where:
Base-Base interactions energy: -131.508
where: short stacking energy: -56.729
Base-Backbone interact. energy: -0.086
local terms energy: -65.569742
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -11.504
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -15.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -207.295874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.295874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.295874 (E_RNA)
where:
Base-Base interactions energy: -139.911
where: short stacking energy: -54.469
Base-Backbone interact. energy: -1.098
local terms energy: -66.287537
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -12.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -188.862108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.862108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.862108 (E_RNA)
where:
Base-Base interactions energy: -135.224
where: short stacking energy: -51.271
Base-Backbone interact. energy: -0.796
local terms energy: -52.842122
where:
bonds (distance) C4'-P energy: -11.269
bonds (distance) P-C4' energy: -8.395
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -13.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -193.648063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.648063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.648063 (E_RNA)
where:
Base-Base interactions energy: -134.013
where: short stacking energy: -55.189
Base-Backbone interact. energy: -0.085
local terms energy: -59.550457
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -4.068
tors. eta vs tors. theta energy: -11.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -168.797000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.797000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.797000 (E_RNA)
where:
Base-Base interactions energy: -115.381
where: short stacking energy: -49.009
Base-Backbone interact. energy: -0.100
local terms energy: -53.316632
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -7.821
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -11.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -67.162431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.162431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.162431 (E_RNA)
where:
Base-Base interactions energy: -15.684
where: short stacking energy: -12.592
Base-Backbone interact. energy: -0.065
local terms energy: -51.413775
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -9.379
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: 10, replica: 10
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -68.903620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.903620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.903620 (E_RNA)
where:
Base-Base interactions energy: -29.172
where: short stacking energy: -29.172
Base-Backbone interact. energy: -0.060
local terms energy: -39.671112
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -10.260
flat angles C4'-P-C4' energy: -11.548
flat angles P-C4'-P energy: -1.520
tors. eta vs tors. theta energy: -6.112
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: 1, replica: 7
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -214.563547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.563547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.563547 (E_RNA)
where:
Base-Base interactions energy: -144.259
where: short stacking energy: -65.974
Base-Backbone interact. energy: -0.005
local terms energy: -70.298905
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -18.070
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: 4
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -207.488109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.488109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.488109 (E_RNA)
where:
Base-Base interactions energy: -140.936
where: short stacking energy: -67.139
Base-Backbone interact. energy: -0.000
local terms energy: -66.551898
where:
bonds (distance) C4'-P energy: -7.807
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -19.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -203.431435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.431435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.431435 (E_RNA)
where:
Base-Base interactions energy: -132.908
where: short stacking energy: -63.729
Base-Backbone interact. energy: -1.084
local terms energy: -69.439332
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -17.070
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: 1
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -196.733657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.733657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.733657 (E_RNA)
where:
Base-Base interactions energy: -135.681
where: short stacking energy: -59.495
Base-Backbone interact. energy: -0.009
local terms energy: -61.043694
where:
bonds (distance) C4'-P energy: -10.856
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -14.667
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: 5
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -208.164921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.164921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.164921 (E_RNA)
where:
Base-Base interactions energy: -145.970
where: short stacking energy: -63.844
Base-Backbone interact. energy: -0.006
local terms energy: -62.189093
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -15.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -195.912894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.912894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.912894 (E_RNA)
where:
Base-Base interactions energy: -131.999
where: short stacking energy: -61.040
Base-Backbone interact. energy: 1.359
local terms energy: -65.272954
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -17.609
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: 9
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -198.826980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.826980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.826980 (E_RNA)
where:
Base-Base interactions energy: -132.484
where: short stacking energy: -62.892
Base-Backbone interact. energy: -0.267
local terms energy: -66.075736
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -15.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -181.218111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.218111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.218111 (E_RNA)
where:
Base-Base interactions energy: -132.963
where: short stacking energy: -56.676
Base-Backbone interact. energy: -0.317
local terms energy: -47.938101
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -8.699
flat angles C4'-P-C4' energy: -10.393
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -11.771
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: 10
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -84.062034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.062034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.062034 (E_RNA)
where:
Base-Base interactions energy: -30.045
where: short stacking energy: -27.445
Base-Backbone interact. energy: -0.057
local terms energy: -53.960495
where:
bonds (distance) C4'-P energy: -7.169
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -8.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -72.834632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.834632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.834632 (E_RNA)
where:
Base-Base interactions energy: -25.140
where: short stacking energy: -25.140
Base-Backbone interact. energy: -0.034
local terms energy: -47.660022
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -8.054
flat angles P-C4'-P energy: -6.748
tors. eta vs tors. theta energy: -5.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -208.778705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.778705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.778705 (E_RNA)
where:
Base-Base interactions energy: -141.087
where: short stacking energy: -63.100
Base-Backbone interact. energy: -0.122
local terms energy: -67.569758
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -16.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -204.799120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.799120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.799120 (E_RNA)
where:
Base-Base interactions energy: -139.679
where: short stacking energy: -56.236
Base-Backbone interact. energy: -0.118
local terms energy: -65.001582
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -14.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -205.916654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.916654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.916654 (E_RNA)
where:
Base-Base interactions energy: -145.143
where: short stacking energy: -65.519
Base-Backbone interact. energy: -0.125
local terms energy: -60.648977
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -9.725
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -6.362
tors. eta vs tors. theta energy: -19.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -206.233820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.233820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.233820 (E_RNA)
where:
Base-Base interactions energy: -139.405
where: short stacking energy: -53.884
Base-Backbone interact. energy: -0.223
local terms energy: -66.605862
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -14.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -191.497736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.497736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.497736 (E_RNA)
where:
Base-Base interactions energy: -130.440
where: short stacking energy: -56.100
Base-Backbone interact. energy: -0.071
local terms energy: -60.985992
where:
bonds (distance) C4'-P energy: -10.575
bonds (distance) P-C4' energy: -11.958
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -15.915
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: 3
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -194.388995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.388995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.388995 (E_RNA)
where:
Base-Base interactions energy: -130.742
where: short stacking energy: -58.429
Base-Backbone interact. energy: -0.488
local terms energy: -63.158659
where:
bonds (distance) C4'-P energy: -9.897
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -16.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -202.690470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.690470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.690470 (E_RNA)
where:
Base-Base interactions energy: -133.566
where: short stacking energy: -61.700
Base-Backbone interact. energy: -0.009
local terms energy: -69.115325
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -17.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -181.708046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.708046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.708046 (E_RNA)
where:
Base-Base interactions energy: -123.607
where: short stacking energy: -49.570
Base-Backbone interact. energy: -0.829
local terms energy: -57.271787
where:
bonds (distance) C4'-P energy: -9.383
bonds (distance) P-C4' energy: -11.818
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -11.620
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: 9, replica: 10
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -65.089889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.089889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.089889 (E_RNA)
where:
Base-Base interactions energy: -17.867
where: short stacking energy: -17.867
Base-Backbone interact. energy: -0.316
local terms energy: -46.906583
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -9.724
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -8.034
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: 10, replica: 2
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -74.861854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.861854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.861854 (E_RNA)
where:
Base-Base interactions energy: -38.122
where: short stacking energy: -30.798
Base-Backbone interact. energy: -0.046
local terms energy: -36.693476
where:
bonds (distance) C4'-P energy: -6.464
bonds (distance) P-C4' energy: -8.129
flat angles C4'-P-C4' energy: -9.269
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -3.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -215.260827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.260827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.260827 (E_RNA)
where:
Base-Base interactions energy: -149.308
where: short stacking energy: -63.876
Base-Backbone interact. energy: -0.001
local terms energy: -65.951574
where:
bonds (distance) C4'-P energy: -11.696
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -17.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -207.615698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.615698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.615698 (E_RNA)
where:
Base-Base interactions energy: -146.298
where: short stacking energy: -65.534
Base-Backbone interact. energy: -0.000
local terms energy: -61.317781
where:
bonds (distance) C4'-P energy: -10.310
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -15.437
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: 5
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -210.460076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.460076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.460076 (E_RNA)
where:
Base-Base interactions energy: -142.331
where: short stacking energy: -64.216
Base-Backbone interact. energy: -1.201
local terms energy: -66.929017
where:
bonds (distance) C4'-P energy: -9.942
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -20.142
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: 330
Temperature: 1.050000
Total energy: -199.908377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.908377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.908377 (E_RNA)
where:
Base-Base interactions energy: -135.469
where: short stacking energy: -62.840
Base-Backbone interact. energy: -1.520
local terms energy: -62.918818
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -11.150
flat angles P-C4'-P energy: -5.651
tors. eta vs tors. theta energy: -18.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -196.545839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.545839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.545839 (E_RNA)
where:
Base-Base interactions energy: -132.765
where: short stacking energy: -57.399
Base-Backbone interact. energy: -0.077
local terms energy: -63.703814
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -11.948
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -15.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -195.530221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.530221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.530221 (E_RNA)
where:
Base-Base interactions energy: -130.466
where: short stacking energy: -64.428
Base-Backbone interact. energy: -0.002
local terms energy: -65.062348
where:
bonds (distance) C4'-P energy: -9.722
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -17.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -192.233644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.233644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.233644 (E_RNA)
where:
Base-Base interactions energy: -131.418
where: short stacking energy: -52.647
Base-Backbone interact. energy: -0.262
local terms energy: -60.554414
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -10.133
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -14.370
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: 330
Temperature: 1.250000
Total energy: -184.983668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.983668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.983668 (E_RNA)
where:
Base-Base interactions energy: -117.219
where: short stacking energy: -54.372
Base-Backbone interact. energy: -0.007
local terms energy: -67.758018
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -11.287
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -19.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -72.252760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.252760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.252760 (E_RNA)
where:
Base-Base interactions energy: -26.369
where: short stacking energy: -26.769
Base-Backbone interact. energy: -0.055
local terms energy: -45.828813
where:
bonds (distance) C4'-P energy: -6.228
bonds (distance) P-C4' energy: -11.287
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -4.364
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: 10
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -72.558166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.558166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.558166 (E_RNA)
where:
Base-Base interactions energy: -29.486
where: short stacking energy: -29.466
Base-Backbone interact. energy: -0.022
local terms energy: -43.050324
where:
bonds (distance) C4'-P energy: -8.214
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -10.759
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -2.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -210.573127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.573127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.573127 (E_RNA)
where:
Base-Base interactions energy: -140.509
where: short stacking energy: -67.450
Base-Backbone interact. energy: -0.135
local terms energy: -69.928547
where:
bonds (distance) C4'-P energy: -10.116
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -19.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -204.565782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.565782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.565782 (E_RNA)
where:
Base-Base interactions energy: -141.229
where: short stacking energy: -60.776
Base-Backbone interact. energy: -0.000
local terms energy: -63.336653
where:
bonds (distance) C4'-P energy: -9.879
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -15.305
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: 7
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -210.833173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.833173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.833173 (E_RNA)
where:
Base-Base interactions energy: -144.846
where: short stacking energy: -58.582
Base-Backbone interact. energy: -0.013
local terms energy: -65.973912
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -14.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -199.527136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.527136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.527136 (E_RNA)
where:
Base-Base interactions energy: -136.519
where: short stacking energy: -62.557
Base-Backbone interact. energy: -0.765
local terms energy: -62.243184
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -16.881
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: 1
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -194.505569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.505569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.505569 (E_RNA)
where:
Base-Base interactions energy: -134.205
where: short stacking energy: -57.650
Base-Backbone interact. energy: -1.171
local terms energy: -59.129505
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -10.946
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -6.550
tors. eta vs tors. theta energy: -12.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -184.197205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.197205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.197205 (E_RNA)
where:
Base-Base interactions energy: -125.773
where: short stacking energy: -53.369
Base-Backbone interact. energy: -0.328
local terms energy: -58.096682
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -5.989
tors. eta vs tors. theta energy: -12.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -195.683004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.683004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.683004 (E_RNA)
where:
Base-Base interactions energy: -134.385
where: short stacking energy: -55.582
Base-Backbone interact. energy: -0.150
local terms energy: -61.148590
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -10.940
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -9.009
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: 8, replica: 2
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -88.673702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.673702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.673702 (E_RNA)
where:
Base-Base interactions energy: -34.020
where: short stacking energy: -33.198
Base-Backbone interact. energy: -0.069
local terms energy: -54.584038
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -10.597
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -7.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -181.528389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.528389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.528389 (E_RNA)
where:
Base-Base interactions energy: -119.665
where: short stacking energy: -56.247
Base-Backbone interact. energy: 0.363
local terms energy: -62.226584
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -15.099
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: 10, replica: 10
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -69.818386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.818386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.818386 (E_RNA)
where:
Base-Base interactions energy: -26.516
where: short stacking energy: -25.627
Base-Backbone interact. energy: -0.095
local terms energy: -43.207148
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -10.002
flat angles P-C4'-P energy: -4.558
tors. eta vs tors. theta energy: -1.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -207.262034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.262034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.262034 (E_RNA)
where:
Base-Base interactions energy: -140.168
where: short stacking energy: -69.056
Base-Backbone interact. energy: -0.000
local terms energy: -67.094031
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -16.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -210.402608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.402608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.402608 (E_RNA)
where:
Base-Base interactions energy: -147.456
where: short stacking energy: -64.840
Base-Backbone interact. energy: -0.624
local terms energy: -62.322415
where:
bonds (distance) C4'-P energy: -8.125
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -16.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -210.692381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.692381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.692381 (E_RNA)
where:
Base-Base interactions energy: -145.330
where: short stacking energy: -60.376
Base-Backbone interact. energy: -0.056
local terms energy: -65.306111
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -14.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -203.683604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.683604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.683604 (E_RNA)
where:
Base-Base interactions energy: -142.541
where: short stacking energy: -59.026
Base-Backbone interact. energy: -0.617
local terms energy: -60.524979
where:
bonds (distance) C4'-P energy: -10.829
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -12.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -192.776772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.776772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.776772 (E_RNA)
where:
Base-Base interactions energy: -126.341
where: short stacking energy: -54.907
Base-Backbone interact. energy: -0.087
local terms energy: -66.349439
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -11.054
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -16.616
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: 1
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -197.074714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.074714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.074714 (E_RNA)
where:
Base-Base interactions energy: -131.604
where: short stacking energy: -61.748
Base-Backbone interact. energy: -0.943
local terms energy: -64.528050
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -15.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -193.967005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.967005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.967005 (E_RNA)
where:
Base-Base interactions energy: -131.252
where: short stacking energy: -58.372
Base-Backbone interact. energy: 0.888
local terms energy: -63.602423
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -17.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -89.716304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.716304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.716304 (E_RNA)
where:
Base-Base interactions energy: -42.589
where: short stacking energy: -31.869
Base-Backbone interact. energy: -1.931
local terms energy: -45.196653
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -10.329
flat angles C4'-P-C4' energy: -8.748
flat angles P-C4'-P energy: -7.120
tors. eta vs tors. theta energy: -6.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -178.443753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.443753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.443753 (E_RNA)
where:
Base-Base interactions energy: -120.426
where: short stacking energy: -53.292
Base-Backbone interact. energy: -0.081
local terms energy: -57.936041
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -10.091
flat angles P-C4'-P energy: -10.603
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: 10, replica: 10
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -83.215481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.215481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.215481 (E_RNA)
where:
Base-Base interactions energy: -29.644
where: short stacking energy: -26.890
Base-Backbone interact. energy: -0.250
local terms energy: -53.321196
where:
bonds (distance) C4'-P energy: -10.744
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -11.674
flat angles P-C4'-P energy: -11.284
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: 6
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -211.233150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.233150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.233150 (E_RNA)
where:
Base-Base interactions energy: -143.820
where: short stacking energy: -64.134
Base-Backbone interact. energy: -0.000
local terms energy: -67.412880
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -11.523
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -16.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -210.235814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.235814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.235814 (E_RNA)
where:
Base-Base interactions energy: -142.499
where: short stacking energy: -62.504
Base-Backbone interact. energy: -0.445
local terms energy: -67.292133
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -15.431
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: 7
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -206.631757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.631757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.631757 (E_RNA)
where:
Base-Base interactions energy: -142.124
where: short stacking energy: -56.680
Base-Backbone interact. energy: -0.007
local terms energy: -64.500726
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -14.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -197.800067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.800067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.800067 (E_RNA)
where:
Base-Base interactions energy: -138.711
where: short stacking energy: -60.110
Base-Backbone interact. energy: -0.064
local terms energy: -59.024471
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -6.768
tors. eta vs tors. theta energy: -14.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -201.922246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.922246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.922246 (E_RNA)
where:
Base-Base interactions energy: -145.700
where: short stacking energy: -65.902
Base-Backbone interact. energy: 0.313
local terms energy: -56.535645
where:
bonds (distance) C4'-P energy: -9.449
bonds (distance) P-C4' energy: -10.160
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -17.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -178.802806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.802806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.802806 (E_RNA)
where:
Base-Base interactions energy: -123.020
where: short stacking energy: -50.169
Base-Backbone interact. energy: -0.022
local terms energy: -55.760744
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -7.124
tors. eta vs tors. theta energy: -13.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -188.203521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.203521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.203521 (E_RNA)
where:
Base-Base interactions energy: -130.372
where: short stacking energy: -56.623
Base-Backbone interact. energy: -0.103
local terms energy: -57.729007
where:
bonds (distance) C4'-P energy: -10.123
bonds (distance) P-C4' energy: -9.387
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -17.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -174.740124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.740124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.740124 (E_RNA)
where:
Base-Base interactions energy: -123.846
where: short stacking energy: -54.867
Base-Backbone interact. energy: -1.048
local terms energy: -49.846866
where:
bonds (distance) C4'-P energy: -4.401
bonds (distance) P-C4' energy: -10.868
flat angles C4'-P-C4' energy: -13.192
flat angles P-C4'-P energy: -9.167
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: 9, replica: 2
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -83.161807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.161807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.161807 (E_RNA)
where:
Base-Base interactions energy: -32.813
where: short stacking energy: -30.739
Base-Backbone interact. energy: -0.006
local terms energy: -50.342627
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -11.522
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -7.099
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: 10, replica: 10
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -69.080344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.080344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.080344 (E_RNA)
where:
Base-Base interactions energy: -19.205
where: short stacking energy: -19.205
Base-Backbone interact. energy: -0.130
local terms energy: -49.745486
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -12.367
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -3.069
tors. eta vs tors. theta energy: -7.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -213.629458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.629458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.629458 (E_RNA)
where:
Base-Base interactions energy: -148.181
where: short stacking energy: -57.254
Base-Backbone interact. energy: -0.644
local terms energy: -64.804354
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -12.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -210.837169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.837169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.837169 (E_RNA)
where:
Base-Base interactions energy: -144.926
where: short stacking energy: -69.033
Base-Backbone interact. energy: -1.128
local terms energy: -64.783772
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -8.741
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -16.071
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: 334
Temperature: 1.000000
Total energy: -207.433564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.433564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.433564 (E_RNA)
where:
Base-Base interactions energy: -135.229
where: short stacking energy: -62.870
Base-Backbone interact. energy: -1.052
local terms energy: -71.152621
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -14.946
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -17.570
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: 7
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -198.380884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.380884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.380884 (E_RNA)
where:
Base-Base interactions energy: -136.327
where: short stacking energy: -56.604
Base-Backbone interact. energy: -0.800
local terms energy: -61.253272
where:
bonds (distance) C4'-P energy: -10.616
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -11.028
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -16.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -199.389437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.389437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.389437 (E_RNA)
where:
Base-Base interactions energy: -136.371
where: short stacking energy: -56.955
Base-Backbone interact. energy: -0.020
local terms energy: -62.998051
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -11.820
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -14.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -195.846906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.846906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.846906 (E_RNA)
where:
Base-Base interactions energy: -137.108
where: short stacking energy: -56.513
Base-Backbone interact. energy: -0.587
local terms energy: -58.151463
where:
bonds (distance) C4'-P energy: -7.980
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -11.045
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -15.090
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: 1
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -181.763889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.763889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.763889 (E_RNA)
where:
Base-Base interactions energy: -128.625
where: short stacking energy: -54.335
Base-Backbone interact. energy: -0.197
local terms energy: -52.941780
where:
bonds (distance) C4'-P energy: -6.269
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -8.650
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: 9
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -187.247830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.247830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.247830 (E_RNA)
where:
Base-Base interactions energy: -131.372
where: short stacking energy: -62.479
Base-Backbone interact. energy: -0.279
local terms energy: -55.596795
where:
bonds (distance) C4'-P energy: -7.096
bonds (distance) P-C4' energy: -12.100
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -16.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -78.651906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.651906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.651906 (E_RNA)
where:
Base-Base interactions energy: -22.678
where: short stacking energy: -20.432
Base-Backbone interact. energy: -0.063
local terms energy: -55.911557
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -5.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -67.084970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.084970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.084970 (E_RNA)
where:
Base-Base interactions energy: -21.970
where: short stacking energy: -21.970
Base-Backbone interact. energy: -0.205
local terms energy: -44.910651
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -11.318
flat angles C4'-P-C4' energy: -11.011
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: -3.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -208.223160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.223160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.223160 (E_RNA)
where:
Base-Base interactions energy: -141.253
where: short stacking energy: -54.984
Base-Backbone interact. energy: -0.227
local terms energy: -66.743820
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -15.942
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: 6
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -210.430496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.430496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.430496 (E_RNA)
where:
Base-Base interactions energy: -140.476
where: short stacking energy: -67.658
Base-Backbone interact. energy: -0.301
local terms energy: -69.653414
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: -18.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -207.173176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.173176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.173176 (E_RNA)
where:
Base-Base interactions energy: -143.117
where: short stacking energy: -59.848
Base-Backbone interact. energy: 1.217
local terms energy: -65.273140
where:
bonds (distance) C4'-P energy: -7.251
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -16.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -199.818776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.818776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.818776 (E_RNA)
where:
Base-Base interactions energy: -135.509
where: short stacking energy: -56.702
Base-Backbone interact. energy: -0.000
local terms energy: -64.309001
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -12.357
flat angles C4'-P-C4' energy: -11.090
flat angles P-C4'-P energy: -9.532
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: 5, replica: 7
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -190.371860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.371860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.371860 (E_RNA)
where:
Base-Base interactions energy: -131.443
where: short stacking energy: -56.123
Base-Backbone interact. energy: -0.068
local terms energy: -58.860669
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -15.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -196.559990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.559990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.559990 (E_RNA)
where:
Base-Base interactions energy: -130.777
where: short stacking energy: -49.592
Base-Backbone interact. energy: -0.005
local terms energy: -65.777868
where:
bonds (distance) C4'-P energy: -9.270
bonds (distance) P-C4' energy: -11.471
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -18.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -195.419624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.419624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.419624 (E_RNA)
where:
Base-Base interactions energy: -134.531
where: short stacking energy: -45.642
Base-Backbone interact. energy: -1.253
local terms energy: -59.636002
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -6.682
tors. eta vs tors. theta energy: -13.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -196.291369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.291369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.291369 (E_RNA)
where:
Base-Base interactions energy: -137.967
where: short stacking energy: -50.279
Base-Backbone interact. energy: -0.077
local terms energy: -58.247286
where:
bonds (distance) C4'-P energy: -9.673
bonds (distance) P-C4' energy: -11.988
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -15.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -70.475401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.475401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.475401 (E_RNA)
where:
Base-Base interactions energy: -34.144
where: short stacking energy: -34.144
Base-Backbone interact. energy: -0.116
local terms energy: -36.215939
where:
bonds (distance) C4'-P energy: -8.845
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -9.263
flat angles P-C4'-P energy: -3.009
tors. eta vs tors. theta energy: -4.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -70.746078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.746078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.746078 (E_RNA)
where:
Base-Base interactions energy: -31.508
where: short stacking energy: -31.413
Base-Backbone interact. energy: -0.048
local terms energy: -39.189861
where:
bonds (distance) C4'-P energy: -9.106
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -7.412
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -1.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -210.618763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.618763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.618763 (E_RNA)
where:
Base-Base interactions energy: -150.397
where: short stacking energy: -56.639
Base-Backbone interact. energy: -0.041
local terms energy: -60.180501
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -12.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -211.030451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.030451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.030451 (E_RNA)
where:
Base-Base interactions energy: -138.969
where: short stacking energy: -61.684
Base-Backbone interact. energy: -0.091
local terms energy: -71.970361
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -18.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -207.159485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.159485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.159485 (E_RNA)
where:
Base-Base interactions energy: -147.314
where: short stacking energy: -68.073
Base-Backbone interact. energy: -0.488
local terms energy: -59.356805
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -6.416
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -19.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -204.354971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.354971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.354971 (E_RNA)
where:
Base-Base interactions energy: -139.865
where: short stacking energy: -61.047
Base-Backbone interact. energy: -0.001
local terms energy: -64.489717
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -16.801
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: 1
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -201.233402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.233402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.233402 (E_RNA)
where:
Base-Base interactions energy: -133.009
where: short stacking energy: -62.697
Base-Backbone interact. energy: -0.447
local terms energy: -67.776672
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -12.919
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -17.756
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: 7
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -186.701712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.701712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.701712 (E_RNA)
where:
Base-Base interactions energy: -129.265
where: short stacking energy: -56.450
Base-Backbone interact. energy: -0.485
local terms energy: -56.951520
where:
bonds (distance) C4'-P energy: -8.972
bonds (distance) P-C4' energy: -9.703
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -15.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -192.491635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.491635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.491635 (E_RNA)
where:
Base-Base interactions energy: -132.128
where: short stacking energy: -60.238
Base-Backbone interact. energy: -0.044
local terms energy: -60.320487
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -9.489
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: -16.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -160.668887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.668887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.668887 (E_RNA)
where:
Base-Base interactions energy: -106.245
where: short stacking energy: -48.433
Base-Backbone interact. energy: -1.137
local terms energy: -53.287631
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -3.504
tors. eta vs tors. theta energy: -12.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -80.570008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.570008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.570008 (E_RNA)
where:
Base-Base interactions energy: -31.792
where: short stacking energy: -29.577
Base-Backbone interact. energy: -0.031
local terms energy: -48.746364
where:
bonds (distance) C4'-P energy: -9.636
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -11.792
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -5.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -61.091365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.091365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.091365 (E_RNA)
where:
Base-Base interactions energy: -23.766
where: short stacking energy: -23.866
Base-Backbone interact. energy: -0.093
local terms energy: -37.232356
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -2.683
flat angles P-C4'-P energy: -6.306
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: 5
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -207.767252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.767252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.767252 (E_RNA)
where:
Base-Base interactions energy: -141.074
where: short stacking energy: -66.450
Base-Backbone interact. energy: -0.089
local terms energy: -66.604015
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -17.117
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: 6
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -213.602475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.602475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.602475 (E_RNA)
where:
Base-Base interactions energy: -147.325
where: short stacking energy: -65.872
Base-Backbone interact. energy: -0.816
local terms energy: -65.461631
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -11.545
flat angles P-C4'-P energy: -7.983
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: 3, replica: 8
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -209.271590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.271590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.271590 (E_RNA)
where:
Base-Base interactions energy: -139.835
where: short stacking energy: -59.474
Base-Backbone interact. energy: -1.300
local terms energy: -68.136453
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -12.318
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -18.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -195.749994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.749994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.749994 (E_RNA)
where:
Base-Base interactions energy: -140.104
where: short stacking energy: -54.065
Base-Backbone interact. energy: -0.502
local terms energy: -55.143963
where:
bonds (distance) C4'-P energy: -9.527
bonds (distance) P-C4' energy: -12.497
flat angles C4'-P-C4' energy: -11.360
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -11.412
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: 3
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -203.496327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.496327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.496327 (E_RNA)
where:
Base-Base interactions energy: -144.171
where: short stacking energy: -66.100
Base-Backbone interact. energy: -0.042
local terms energy: -59.283675
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -10.958
flat angles C4'-P-C4' energy: -7.106
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -17.513
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: 6, replica: 4
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -189.513703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.513703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.513703 (E_RNA)
where:
Base-Base interactions energy: -133.135
where: short stacking energy: -59.892
Base-Backbone interact. energy: -0.211
local terms energy: -56.167680
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -9.744
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -13.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -198.072397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.072397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.072397 (E_RNA)
where:
Base-Base interactions energy: -136.467
where: short stacking energy: -54.327
Base-Backbone interact. energy: -0.169
local terms energy: -61.436575
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -16.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -165.777496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.777496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.777496 (E_RNA)
where:
Base-Base interactions energy: -111.763
where: short stacking energy: -45.391
Base-Backbone interact. energy: -0.195
local terms energy: -53.819137
where:
bonds (distance) C4'-P energy: -10.702
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -10.082
flat angles P-C4'-P energy: -7.185
tors. eta vs tors. theta energy: -13.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -71.731237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.731237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.731237 (E_RNA)
where:
Base-Base interactions energy: -25.525
where: short stacking energy: -16.697
Base-Backbone interact. energy: -0.212
local terms energy: -45.993935
where:
bonds (distance) C4'-P energy: -8.905
bonds (distance) P-C4' energy: -11.127
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -2.827
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: 2
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -75.663946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.663946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.663946 (E_RNA)
where:
Base-Base interactions energy: -32.351
where: short stacking energy: -32.351
Base-Backbone interact. energy: -0.071
local terms energy: -43.241879
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -6.401
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -6.156
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: 1, replica: 6
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -210.464996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.464996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.464996 (E_RNA)
where:
Base-Base interactions energy: -139.919
where: short stacking energy: -65.669
Base-Backbone interact. energy: -1.137
local terms energy: -69.408841
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -19.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -205.997288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.997288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.997288 (E_RNA)
where:
Base-Base interactions energy: -140.118
where: short stacking energy: -65.758
Base-Backbone interact. energy: -0.278
local terms energy: -65.600931
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -10.585
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -15.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -202.368579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.368579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.368579 (E_RNA)
where:
Base-Base interactions energy: -138.150
where: short stacking energy: -62.395
Base-Backbone interact. energy: -0.003
local terms energy: -64.215298
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -14.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -200.036273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.036273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.036273 (E_RNA)
where:
Base-Base interactions energy: -136.084
where: short stacking energy: -56.357
Base-Backbone interact. energy: -0.002
local terms energy: -63.950931
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -5.357
tors. eta vs tors. theta energy: -17.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -193.592495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.592495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.592495 (E_RNA)
where:
Base-Base interactions energy: -132.215
where: short stacking energy: -61.941
Base-Backbone interact. energy: -0.001
local terms energy: -61.376798
where:
bonds (distance) C4'-P energy: -9.715
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -17.125
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: 4
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -188.194681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.194681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.194681 (E_RNA)
where:
Base-Base interactions energy: -128.788
where: short stacking energy: -48.668
Base-Backbone interact. energy: -0.100
local terms energy: -59.306446
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -5.374
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: 9
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -183.236236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.236236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.236236 (E_RNA)
where:
Base-Base interactions energy: -127.819
where: short stacking energy: -52.600
Base-Backbone interact. energy: -0.025
local terms energy: -55.392095
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -13.002
flat angles C4'-P-C4' energy: -11.382
flat angles P-C4'-P energy: -7.195
tors. eta vs tors. theta energy: -10.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -181.624684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.624684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.624684 (E_RNA)
where:
Base-Base interactions energy: -121.811
where: short stacking energy: -51.110
Base-Backbone interact. energy: -0.094
local terms energy: -59.719373
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -13.015
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: 338
Temperature: 1.300000
Total energy: -95.263281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.263281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.263281 (E_RNA)
where:
Base-Base interactions energy: -47.011
where: short stacking energy: -32.693
Base-Backbone interact. energy: 0.448
local terms energy: -48.699784
where:
bonds (distance) C4'-P energy: -5.437
bonds (distance) P-C4' energy: -11.170
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -9.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -69.859727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.859727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.859727 (E_RNA)
where:
Base-Base interactions energy: -25.491
where: short stacking energy: -24.730
Base-Backbone interact. energy: 0.687
local terms energy: -45.055878
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -4.994
tors. eta vs tors. theta energy: -2.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -214.290795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.290795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.290795 (E_RNA)
where:
Base-Base interactions energy: -143.790
where: short stacking energy: -66.261
Base-Backbone interact. energy: -0.861
local terms energy: -69.640072
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -19.644
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: 8
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -208.660637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.660637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.660637 (E_RNA)
where:
Base-Base interactions energy: -136.686
where: short stacking energy: -64.418
Base-Backbone interact. energy: 0.402
local terms energy: -72.377046
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -17.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -205.653883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.653883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.653883 (E_RNA)
where:
Base-Base interactions energy: -135.942
where: short stacking energy: -57.542
Base-Backbone interact. energy: -0.602
local terms energy: -69.110180
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -16.793
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: 4, replica: 3
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -187.271191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.271191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.271191 (E_RNA)
where:
Base-Base interactions energy: -125.626
where: short stacking energy: -57.713
Base-Backbone interact. energy: -0.668
local terms energy: -60.977080
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -11.720
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -16.282
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: 1
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -190.744141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.744141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.744141 (E_RNA)
where:
Base-Base interactions energy: -134.435
where: short stacking energy: -58.641
Base-Backbone interact. energy: -0.579
local terms energy: -55.730768
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -10.189
flat angles C4'-P-C4' energy: -11.808
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -13.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -183.279179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.279179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.279179 (E_RNA)
where:
Base-Base interactions energy: -126.277
where: short stacking energy: -57.724
Base-Backbone interact. energy: 0.012
local terms energy: -57.014358
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -9.663
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -10.593
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: 7, replica: 4
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -184.130322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.130322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.130322 (E_RNA)
where:
Base-Base interactions energy: -129.209
where: short stacking energy: -55.362
Base-Backbone interact. energy: -0.419
local terms energy: -54.502157
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -9.400
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -5.818
tors. eta vs tors. theta energy: -14.601
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: 7
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -175.067768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.067768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.067768 (E_RNA)
where:
Base-Base interactions energy: -127.068
where: short stacking energy: -55.390
Base-Backbone interact. energy: -0.523
local terms energy: -47.477096
where:
bonds (distance) C4'-P energy: -8.920
bonds (distance) P-C4' energy: -7.288
flat angles C4'-P-C4' energy: -7.583
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: -15.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -103.357986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.357986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.357986 (E_RNA)
where:
Base-Base interactions energy: -57.374
where: short stacking energy: -34.822
Base-Backbone interact. energy: -0.323
local terms energy: -45.660983
where:
bonds (distance) C4'-P energy: -9.425
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -9.816
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -2.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -74.760657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.760657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.760657 (E_RNA)
where:
Base-Base interactions energy: -23.110
where: short stacking energy: -23.210
Base-Backbone interact. energy: -0.139
local terms energy: -51.511224
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -6.408
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: 8
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -214.807724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.807724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.807724 (E_RNA)
where:
Base-Base interactions energy: -143.813
where: short stacking energy: -66.679
Base-Backbone interact. energy: -0.015
local terms energy: -70.979328
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -9.350
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: 2, replica: 6
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -213.327397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.327397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.327397 (E_RNA)
where:
Base-Base interactions energy: -138.218
where: short stacking energy: -60.537
Base-Backbone interact. energy: -0.008
local terms energy: -75.102003
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -20.564
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: 5
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -204.652955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.652955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.652955 (E_RNA)
where:
Base-Base interactions energy: -136.116
where: short stacking energy: -56.599
Base-Backbone interact. energy: -0.082
local terms energy: -68.455707
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -16.351
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: 3
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -178.480415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.480415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.480415 (E_RNA)
where:
Base-Base interactions energy: -117.870
where: short stacking energy: -48.384
Base-Backbone interact. energy: -0.074
local terms energy: -60.536392
where:
bonds (distance) C4'-P energy: -9.942
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -13.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -200.720423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.720423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.720423 (E_RNA)
where:
Base-Base interactions energy: -135.002
where: short stacking energy: -63.290
Base-Backbone interact. energy: -0.017
local terms energy: -65.701350
where:
bonds (distance) C4'-P energy: -10.886
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -17.777
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: 1
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -191.096841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.096841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.096841 (E_RNA)
where:
Base-Base interactions energy: -132.663
where: short stacking energy: -61.280
Base-Backbone interact. energy: -1.050
local terms energy: -57.384058
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -10.672
flat angles P-C4'-P energy: -5.015
tors. eta vs tors. theta energy: -18.135
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: 7
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -196.577967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.577967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.577967 (E_RNA)
where:
Base-Base interactions energy: -129.144
where: short stacking energy: -59.002
Base-Backbone interact. energy: -0.001
local terms energy: -67.433006
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -19.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -178.062038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.062038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.062038 (E_RNA)
where:
Base-Base interactions energy: -124.183
where: short stacking energy: -45.060
Base-Backbone interact. energy: -0.869
local terms energy: -53.009491
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -10.985
flat angles C4'-P-C4' energy: -10.896
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -12.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -83.659531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.659531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.659531 (E_RNA)
where:
Base-Base interactions energy: -39.935
where: short stacking energy: -27.671
Base-Backbone interact. energy: 0.909
local terms energy: -44.634378
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -9.697
flat angles P-C4'-P energy: -5.132
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: 2
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -65.857901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.857901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.857901 (E_RNA)
where:
Base-Base interactions energy: -17.621
where: short stacking energy: -17.621
Base-Backbone interact. energy: -0.045
local terms energy: -48.191938
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -10.774
flat angles P-C4'-P energy: -6.994
tors. eta vs tors. theta energy: -3.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -219.302014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.302014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.302014 (E_RNA)
where:
Base-Base interactions energy: -145.454
where: short stacking energy: -66.743
Base-Backbone interact. energy: -0.009
local terms energy: -73.839099
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -18.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -209.655394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.655394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.655394 (E_RNA)
where:
Base-Base interactions energy: -146.062
where: short stacking energy: -62.729
Base-Backbone interact. energy: -0.023
local terms energy: -63.570659
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -15.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -210.917183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.917183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.917183 (E_RNA)
where:
Base-Base interactions energy: -145.750
where: short stacking energy: -56.425
Base-Backbone interact. energy: -0.026
local terms energy: -65.141101
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -12.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -199.550061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.550061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.550061 (E_RNA)
where:
Base-Base interactions energy: -136.269
where: short stacking energy: -60.441
Base-Backbone interact. energy: -0.542
local terms energy: -62.739111
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -11.513
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -13.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -193.016050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.016050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.016050 (E_RNA)
where:
Base-Base interactions energy: -126.300
where: short stacking energy: -60.076
Base-Backbone interact. energy: -0.166
local terms energy: -66.549928
where:
bonds (distance) C4'-P energy: -11.783
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -17.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -189.412144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.412144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.412144 (E_RNA)
where:
Base-Base interactions energy: -129.048
where: short stacking energy: -62.602
Base-Backbone interact. energy: -0.000
local terms energy: -60.364230
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -7.853
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -15.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -184.364766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.364766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.364766 (E_RNA)
where:
Base-Base interactions energy: -126.452
where: short stacking energy: -59.305
Base-Backbone interact. energy: -0.008
local terms energy: -57.905415
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -5.558
tors. eta vs tors. theta energy: -13.702
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: 10
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -81.280733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.280733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.280733 (E_RNA)
where:
Base-Base interactions energy: -37.135
where: short stacking energy: -35.376
Base-Backbone interact. energy: -0.350
local terms energy: -43.796359
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -8.040
flat angles C4'-P-C4' energy: -10.559
flat angles P-C4'-P energy: -4.943
tors. eta vs tors. theta energy: -7.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -181.349573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.349573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.349573 (E_RNA)
where:
Base-Base interactions energy: -124.507
where: short stacking energy: -49.202
Base-Backbone interact. energy: -0.445
local terms energy: -56.397186
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -10.847
flat angles C4'-P-C4' energy: -9.922
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -11.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -68.372913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.372913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.372913 (E_RNA)
where:
Base-Base interactions energy: -25.474
where: short stacking energy: -21.518
Base-Backbone interact. energy: -0.451
local terms energy: -42.447654
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -9.823
flat angles C4'-P-C4' energy: -9.635
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: -4.330
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: 5
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -221.178520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.178520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.178520 (E_RNA)
where:
Base-Base interactions energy: -153.532
where: short stacking energy: -59.595
Base-Backbone interact. energy: -0.044
local terms energy: -67.602014
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -16.410
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: 8
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -212.825217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.825217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.825217 (E_RNA)
where:
Base-Base interactions energy: -144.159
where: short stacking energy: -69.488
Base-Backbone interact. energy: -0.001
local terms energy: -68.664931
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -19.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -201.093486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.093486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.093486 (E_RNA)
where:
Base-Base interactions energy: -134.269
where: short stacking energy: -60.315
Base-Backbone interact. energy: -0.003
local terms energy: -66.820996
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -8.742
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: 4, replica: 6
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -197.409544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.409544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.409544 (E_RNA)
where:
Base-Base interactions energy: -128.094
where: short stacking energy: -59.159
Base-Backbone interact. energy: -0.018
local terms energy: -69.297620
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -16.100
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: 1
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -194.041891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.041891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.041891 (E_RNA)
where:
Base-Base interactions energy: -134.142
where: short stacking energy: -65.779
Base-Backbone interact. energy: -0.003
local terms energy: -59.896509
where:
bonds (distance) C4'-P energy: -7.988
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -16.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -194.118754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.118754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.118754 (E_RNA)
where:
Base-Base interactions energy: -132.683
where: short stacking energy: -61.532
Base-Backbone interact. energy: -0.610
local terms energy: -60.826282
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -11.964
flat angles P-C4'-P energy: -11.061
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: 7, replica: 7
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -183.882050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.882050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.882050 (E_RNA)
where:
Base-Base interactions energy: -126.146
where: short stacking energy: -62.598
Base-Backbone interact. energy: -0.293
local terms energy: -57.443192
where:
bonds (distance) C4'-P energy: -10.188
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -4.269
tors. eta vs tors. theta energy: -16.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -82.573599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.573599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.573599 (E_RNA)
where:
Base-Base interactions energy: -37.666
where: short stacking energy: -23.237
Base-Backbone interact. energy: -0.502
local terms energy: -44.405464
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -4.544
tors. eta vs tors. theta energy: -4.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -128.447462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.447462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.447462 (E_RNA)
where:
Base-Base interactions energy: -81.829
where: short stacking energy: -38.033
Base-Backbone interact. energy: -0.156
local terms energy: -46.461638
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -11.523
flat angles C4'-P-C4' energy: -10.046
flat angles P-C4'-P energy: -4.655
tors. eta vs tors. theta energy: -8.719
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: 10, replica: 2
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -75.059417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.059417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.059417 (E_RNA)
where:
Base-Base interactions energy: -28.165
where: short stacking energy: -26.550
Base-Backbone interact. energy: -0.256
local terms energy: -46.638573
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -9.536
flat angles P-C4'-P energy: -6.190
tors. eta vs tors. theta energy: -3.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -211.938239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.938239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.938239 (E_RNA)
where:
Base-Base interactions energy: -139.930
where: short stacking energy: -66.081
Base-Backbone interact. energy: -0.000
local terms energy: -72.007986
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -11.692
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -19.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -217.142554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.142554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.142554 (E_RNA)
where:
Base-Base interactions energy: -148.144
where: short stacking energy: -61.392
Base-Backbone interact. energy: -0.577
local terms energy: -68.422180
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: -19.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -201.580256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.580256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.580256 (E_RNA)
where:
Base-Base interactions energy: -139.153
where: short stacking energy: -57.663
Base-Backbone interact. energy: -1.073
local terms energy: -61.354607
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -10.368
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -13.934
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: 4, replica: 1
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -205.043209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.043209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.043209 (E_RNA)
where:
Base-Base interactions energy: -140.592
where: short stacking energy: -70.369
Base-Backbone interact. energy: -0.223
local terms energy: -64.228404
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -8.321
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -16.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -197.068883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.068883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.068883 (E_RNA)
where:
Base-Base interactions energy: -144.224
where: short stacking energy: -60.265
Base-Backbone interact. energy: -0.105
local terms energy: -52.739791
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -11.615
flat angles C4'-P-C4' energy: -6.003
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -15.552
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: 343
Temperature: 1.150000
Total energy: -191.428765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.428765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.428765 (E_RNA)
where:
Base-Base interactions energy: -130.092
where: short stacking energy: -61.973
Base-Backbone interact. energy: -0.010
local terms energy: -61.327306
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -17.494
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: 3
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -198.072995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.072995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.072995 (E_RNA)
where:
Base-Base interactions energy: -129.982
where: short stacking energy: -63.829
Base-Backbone interact. energy: -0.326
local terms energy: -67.765027
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -17.157
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: 10
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -79.781767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.781767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.781767 (E_RNA)
where:
Base-Base interactions energy: -34.624
where: short stacking energy: -26.098
Base-Backbone interact. energy: -0.124
local terms energy: -45.034199
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -3.721
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -4.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -68.433525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.433525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.433525 (E_RNA)
where:
Base-Base interactions energy: -26.544
where: short stacking energy: -20.989
Base-Backbone interact. energy: -0.132
local terms energy: -41.757648
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -6.664
flat angles P-C4'-P energy: -5.944
tors. eta vs tors. theta energy: -2.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -72.405500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.405500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.405500 (E_RNA)
where:
Base-Base interactions energy: -31.148
where: short stacking energy: -29.691
Base-Backbone interact. energy: -0.037
local terms energy: -41.220588
where:
bonds (distance) C4'-P energy: -8.862
bonds (distance) P-C4' energy: -11.537
flat angles C4'-P-C4' energy: -9.780
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -2.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -216.706317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.706317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.706317 (E_RNA)
where:
Base-Base interactions energy: -146.400
where: short stacking energy: -67.950
Base-Backbone interact. energy: -1.361
local terms energy: -68.945052
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -18.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -205.946652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.946652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.946652 (E_RNA)
where:
Base-Base interactions energy: -139.862
where: short stacking energy: -62.969
Base-Backbone interact. energy: -0.285
local terms energy: -65.799985
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -14.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -205.313623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.313623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.313623 (E_RNA)
where:
Base-Base interactions energy: -142.624
where: short stacking energy: -63.471
Base-Backbone interact. energy: -0.179
local terms energy: -62.510363
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -16.030
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: 8
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -204.741362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.741362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.741362 (E_RNA)
where:
Base-Base interactions energy: -143.329
where: short stacking energy: -68.500
Base-Backbone interact. energy: -0.575
local terms energy: -60.837829
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -6.248
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -17.911
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: 7
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -201.420915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.420915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.420915 (E_RNA)
where:
Base-Base interactions energy: -136.486
where: short stacking energy: -63.435
Base-Backbone interact. energy: -0.002
local terms energy: -64.933242
where:
bonds (distance) C4'-P energy: -10.139
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -20.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -196.002190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.002190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.002190 (E_RNA)
where:
Base-Base interactions energy: -129.550
where: short stacking energy: -64.376
Base-Backbone interact. energy: -0.412
local terms energy: -66.040192
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -18.531
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: 3
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -190.384346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.384346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.384346 (E_RNA)
where:
Base-Base interactions energy: -133.530
where: short stacking energy: -66.038
Base-Backbone interact. energy: -0.207
local terms energy: -56.646749
where:
bonds (distance) C4'-P energy: -7.483
bonds (distance) P-C4' energy: -12.471
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -16.629
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: 10
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -85.541035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.541035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.541035 (E_RNA)
where:
Base-Base interactions energy: -38.490
where: short stacking energy: -38.490
Base-Backbone interact. energy: -0.003
local terms energy: -47.048425
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -11.579
flat angles C4'-P-C4' energy: -10.233
flat angles P-C4'-P energy: -6.250
tors. eta vs tors. theta energy: -6.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -86.861586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.861586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.861586 (E_RNA)
where:
Base-Base interactions energy: -47.327
where: short stacking energy: -26.070
Base-Backbone interact. energy: -0.157
local terms energy: -39.377444
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -10.157
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -2.405
tors. eta vs tors. theta energy: -3.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -71.756478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.756478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.756478 (E_RNA)
where:
Base-Base interactions energy: -20.761
where: short stacking energy: -20.761
Base-Backbone interact. energy: -0.225
local terms energy: -50.770254
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -1.851
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: 9
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -213.397906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.397906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.397906 (E_RNA)
where:
Base-Base interactions energy: -151.835
where: short stacking energy: -64.193
Base-Backbone interact. energy: -0.010
local terms energy: -61.553536
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -12.259
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -14.890
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: 2, replica: 1
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -206.784819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.784819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.784819 (E_RNA)
where:
Base-Base interactions energy: -143.030
where: short stacking energy: -60.770
Base-Backbone interact. energy: -0.027
local terms energy: -63.727457
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -15.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -203.682656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.682656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.682656 (E_RNA)
where:
Base-Base interactions energy: -138.741
where: short stacking energy: -61.941
Base-Backbone interact. energy: -0.005
local terms energy: -64.936797
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -11.452
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -10.180
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: 4, replica: 7
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -204.154194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.154194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.154194 (E_RNA)
where:
Base-Base interactions energy: -136.457
where: short stacking energy: -66.348
Base-Backbone interact. energy: -0.001
local terms energy: -67.695933
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -7.779
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -19.745
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: 8
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -199.719713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.719713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.719713 (E_RNA)
where:
Base-Base interactions energy: -138.546
where: short stacking energy: -66.457
Base-Backbone interact. energy: -0.042
local terms energy: -61.131686
where:
bonds (distance) C4'-P energy: -7.615
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -18.443
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: 3
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -201.304203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.304203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.304203 (E_RNA)
where:
Base-Base interactions energy: -134.434
where: short stacking energy: -59.775
Base-Backbone interact. energy: -1.041
local terms energy: -65.829357
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -18.894
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: 7, replica: 6
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -192.290117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.290117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.290117 (E_RNA)
where:
Base-Base interactions energy: -132.433
where: short stacking energy: -58.520
Base-Backbone interact. energy: -0.026
local terms energy: -59.830854
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -10.990
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -16.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -81.350712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.350712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.350712 (E_RNA)
where:
Base-Base interactions energy: -38.276
where: short stacking energy: -31.481
Base-Backbone interact. energy: -0.103
local terms energy: -42.971294
where:
bonds (distance) C4'-P energy: -3.388
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -4.285
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: 9, replica: 10
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -77.223193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.223193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.223193 (E_RNA)
where:
Base-Base interactions energy: -31.689
where: short stacking energy: -31.689
Base-Backbone interact. energy: -0.029
local terms energy: -45.504888
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -11.878
flat angles C4'-P-C4' energy: -10.170
flat angles P-C4'-P energy: -6.068
tors. eta vs tors. theta energy: -4.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -67.843113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.843113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.843113 (E_RNA)
where:
Base-Base interactions energy: -29.177
where: short stacking energy: -24.811
Base-Backbone interact. energy: 0.362
local terms energy: -39.028195
where:
bonds (distance) C4'-P energy: -7.520
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: 0.551
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: 1
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -210.773228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.773228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.773228 (E_RNA)
where:
Base-Base interactions energy: -141.748
where: short stacking energy: -65.367
Base-Backbone interact. energy: -0.063
local terms energy: -68.962208
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -9.639
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -17.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -212.417089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.417089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.417089 (E_RNA)
where:
Base-Base interactions energy: -139.498
where: short stacking energy: -64.013
Base-Backbone interact. energy: -0.993
local terms energy: -71.926391
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -10.111
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: 3, replica: 5
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -206.242492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.242492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.242492 (E_RNA)
where:
Base-Base interactions energy: -140.987
where: short stacking energy: -65.393
Base-Backbone interact. energy: -0.000
local terms energy: -65.255803
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -10.629
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -19.254
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: 7
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -206.590991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.590991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.590991 (E_RNA)
where:
Base-Base interactions energy: -140.493
where: short stacking energy: -66.394
Base-Backbone interact. energy: -0.052
local terms energy: -66.046062
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -5.947
tors. eta vs tors. theta energy: -19.052
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: 5, replica: 3
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -200.779083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.779083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.779083 (E_RNA)
where:
Base-Base interactions energy: -137.909
where: short stacking energy: -50.966
Base-Backbone interact. energy: -1.672
local terms energy: -61.198038
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -4.430
tors. eta vs tors. theta energy: -14.745
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: 6, replica: 8
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -192.188247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.188247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.188247 (E_RNA)
where:
Base-Base interactions energy: -134.261
where: short stacking energy: -55.873
Base-Backbone interact. energy: -0.130
local terms energy: -57.797590
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -12.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -176.959184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.959184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.959184 (E_RNA)
where:
Base-Base interactions energy: -118.292
where: short stacking energy: -52.599
Base-Backbone interact. energy: -0.011
local terms energy: -58.655587
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -10.545
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -16.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -91.052429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.052429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.052429 (E_RNA)
where:
Base-Base interactions energy: -52.026
where: short stacking energy: -33.997
Base-Backbone interact. energy: -0.054
local terms energy: -38.972079
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -10.831
flat angles C4'-P-C4' energy: -8.214
flat angles P-C4'-P energy: -5.922
tors. eta vs tors. theta energy: -2.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -78.991154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.991154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.991154 (E_RNA)
where:
Base-Base interactions energy: -32.541
where: short stacking energy: -32.541
Base-Backbone interact. energy: -0.172
local terms energy: -46.278339
where:
bonds (distance) C4'-P energy: -10.421
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -9.264
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: -6.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -75.817009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.817009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.817009 (E_RNA)
where:
Base-Base interactions energy: -34.890
where: short stacking energy: -19.077
Base-Backbone interact. energy: -0.788
local terms energy: -40.138949
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -6.560
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -5.821
tors. eta vs tors. theta energy: -2.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -219.415252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.415252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.415252 (E_RNA)
where:
Base-Base interactions energy: -146.132
where: short stacking energy: -67.339
Base-Backbone interact. energy: -1.297
local terms energy: -71.986469
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -19.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -207.082444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.082444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.082444 (E_RNA)
where:
Base-Base interactions energy: -142.704
where: short stacking energy: -66.902
Base-Backbone interact. energy: -1.120
local terms energy: -63.258209
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -6.179
tors. eta vs tors. theta energy: -17.533
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: 9
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -206.479385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.479385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.479385 (E_RNA)
where:
Base-Base interactions energy: -141.325
where: short stacking energy: -67.438
Base-Backbone interact. energy: -0.218
local terms energy: -64.936796
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -11.249
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -17.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -206.723102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.723102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.723102 (E_RNA)
where:
Base-Base interactions energy: -141.538
where: short stacking energy: -62.607
Base-Backbone interact. energy: -0.000
local terms energy: -65.185447
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -9.689
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -18.710
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: 347
Temperature: 1.100000
Total energy: -198.637381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.637381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.637381 (E_RNA)
where:
Base-Base interactions energy: -133.696
where: short stacking energy: -57.715
Base-Backbone interact. energy: -0.001
local terms energy: -64.940359
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -5.410
tors. eta vs tors. theta energy: -16.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -177.070218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.070218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.070218 (E_RNA)
where:
Base-Base interactions energy: -115.266
where: short stacking energy: -47.573
Base-Backbone interact. energy: 2.598
local terms energy: -64.402047
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -13.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -169.089080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.089080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.089080 (E_RNA)
where:
Base-Base interactions energy: -110.538
where: short stacking energy: -50.665
Base-Backbone interact. energy: -0.358
local terms energy: -58.193246
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -11.394
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -13.298
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: 8, replica: 4
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -70.097358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.097358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.097358 (E_RNA)
where:
Base-Base interactions energy: -25.756
where: short stacking energy: -23.867
Base-Backbone interact. energy: 0.656
local terms energy: -44.997207
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -10.640
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: 1.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -84.830916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.830916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.830916 (E_RNA)
where:
Base-Base interactions energy: -42.085
where: short stacking energy: -33.288
Base-Backbone interact. energy: -0.488
local terms energy: -42.257949
where:
bonds (distance) C4'-P energy: -8.140
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -10.892
flat angles P-C4'-P energy: -5.815
tors. eta vs tors. theta energy: -4.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -69.445651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.445651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.445651 (E_RNA)
where:
Base-Base interactions energy: -25.470
where: short stacking energy: -24.380
Base-Backbone interact. energy: 0.112
local terms energy: -44.087434
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -10.359
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -4.300
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: 1
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -215.920654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.920654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.920654 (E_RNA)
where:
Base-Base interactions energy: -147.332
where: short stacking energy: -66.843
Base-Backbone interact. energy: -0.398
local terms energy: -68.189834
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -6.449
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: 2, replica: 5
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -207.654334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.654334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.654334 (E_RNA)
where:
Base-Base interactions energy: -140.605
where: short stacking energy: -65.224
Base-Backbone interact. energy: -0.280
local terms energy: -66.769729
where:
bonds (distance) C4'-P energy: -8.696
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -19.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -210.643596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.643596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.643596 (E_RNA)
where:
Base-Base interactions energy: -140.754
where: short stacking energy: -64.768
Base-Backbone interact. energy: -1.113
local terms energy: -68.776900
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -18.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -204.847634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.847634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.847634 (E_RNA)
where:
Base-Base interactions energy: -140.967
where: short stacking energy: -63.877
Base-Backbone interact. energy: -0.410
local terms energy: -63.470985
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -9.016
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -17.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -200.901720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.901720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.901720 (E_RNA)
where:
Base-Base interactions energy: -133.805
where: short stacking energy: -66.304
Base-Backbone interact. energy: -0.000
local terms energy: -67.096600
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -18.150
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: 6
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -170.622814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.622814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.622814 (E_RNA)
where:
Base-Base interactions energy: -111.503
where: short stacking energy: -48.749
Base-Backbone interact. energy: -0.030
local terms energy: -59.089604
where:
bonds (distance) C4'-P energy: -12.706
bonds (distance) P-C4' energy: -10.970
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -11.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -179.598363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.598363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.598363 (E_RNA)
where:
Base-Base interactions energy: -122.858
where: short stacking energy: -56.427
Base-Backbone interact. energy: -0.097
local terms energy: -56.643255
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -10.672
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -10.199
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: 4
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -168.312010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.312010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.312010 (E_RNA)
where:
Base-Base interactions energy: -107.340
where: short stacking energy: -46.742
Base-Backbone interact. energy: 1.538
local terms energy: -62.509752
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -11.533
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: 2
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -77.525040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.525040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.525040 (E_RNA)
where:
Base-Base interactions energy: -26.006
where: short stacking energy: -26.006
Base-Backbone interact. energy: -0.216
local terms energy: -51.303170
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -1.334
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: 10
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -70.986772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.986772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.986772 (E_RNA)
where:
Base-Base interactions energy: -21.411
where: short stacking energy: -17.153
Base-Backbone interact. energy: -0.277
local terms energy: -49.299198
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -10.526
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -9.584
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: 1
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -213.003072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.003072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.003072 (E_RNA)
where:
Base-Base interactions energy: -143.175
where: short stacking energy: -57.149
Base-Backbone interact. energy: -0.002
local terms energy: -69.826557
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -17.945
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: 3
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -201.426619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.426619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.426619 (E_RNA)
where:
Base-Base interactions energy: -139.968
where: short stacking energy: -56.141
Base-Backbone interact. energy: 0.618
local terms energy: -62.077214
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -10.884
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -14.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -201.885318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.885318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.885318 (E_RNA)
where:
Base-Base interactions energy: -140.010
where: short stacking energy: -60.934
Base-Backbone interact. energy: -0.295
local terms energy: -61.580639
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -12.274
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -16.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -198.270738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.270738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.270738 (E_RNA)
where:
Base-Base interactions energy: -132.460
where: short stacking energy: -61.397
Base-Backbone interact. energy: -0.658
local terms energy: -65.153351
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -10.882
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: 5, replica: 9
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -198.228417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.228417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.228417 (E_RNA)
where:
Base-Base interactions energy: -140.437
where: short stacking energy: -62.073
Base-Backbone interact. energy: -0.309
local terms energy: -57.482560
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -7.931
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -16.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -188.836833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.836833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.836833 (E_RNA)
where:
Base-Base interactions energy: -125.553
where: short stacking energy: -57.373
Base-Backbone interact. energy: -0.244
local terms energy: -63.039358
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -12.133
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -16.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -169.616664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.616664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.616664 (E_RNA)
where:
Base-Base interactions energy: -106.600
where: short stacking energy: -49.009
Base-Backbone interact. energy: 0.304
local terms energy: -63.320989
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -12.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -178.622097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.622097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.622097 (E_RNA)
where:
Base-Base interactions energy: -119.257
where: short stacking energy: -50.607
Base-Backbone interact. energy: -0.019
local terms energy: -59.346047
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -5.996
tors. eta vs tors. theta energy: -14.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -95.355833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.355833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.355833 (E_RNA)
where:
Base-Base interactions energy: -48.456
where: short stacking energy: -26.047
Base-Backbone interact. energy: -0.091
local terms energy: -46.808290
where:
bonds (distance) C4'-P energy: -9.647
bonds (distance) P-C4' energy: -8.274
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -2.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -74.592567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.592567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.592567 (E_RNA)
where:
Base-Base interactions energy: -31.514
where: short stacking energy: -19.208
Base-Backbone interact. energy: 1.581
local terms energy: -44.660090
where:
bonds (distance) C4'-P energy: -10.776
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -11.926
flat angles P-C4'-P energy: -6.334
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: 1, replica: 3
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -206.666295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.666295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.666295 (E_RNA)
where:
Base-Base interactions energy: -143.519
where: short stacking energy: -56.065
Base-Backbone interact. energy: -0.033
local terms energy: -63.114643
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -14.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -210.928921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.928921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.928921 (E_RNA)
where:
Base-Base interactions energy: -140.572
where: short stacking energy: -61.666
Base-Backbone interact. energy: -1.218
local terms energy: -69.138814
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -19.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -206.258995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.258995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.258995 (E_RNA)
where:
Base-Base interactions energy: -138.775
where: short stacking energy: -60.275
Base-Backbone interact. energy: -0.002
local terms energy: -67.482388
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -15.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -200.976351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.976351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.976351 (E_RNA)
where:
Base-Base interactions energy: -134.570
where: short stacking energy: -63.056
Base-Backbone interact. energy: -0.323
local terms energy: -66.083206
where:
bonds (distance) C4'-P energy: -9.963
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -15.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -202.545581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.545581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.545581 (E_RNA)
where:
Base-Base interactions energy: -140.360
where: short stacking energy: -64.886
Base-Backbone interact. energy: -0.376
local terms energy: -61.809454
where:
bonds (distance) C4'-P energy: -9.159
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -18.609
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: 9
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -194.233335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.233335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.233335 (E_RNA)
where:
Base-Base interactions energy: -135.013
where: short stacking energy: -57.660
Base-Backbone interact. energy: -0.044
local terms energy: -59.176083
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -9.964
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -14.511
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: 4
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -185.685501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.685501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.685501 (E_RNA)
where:
Base-Base interactions energy: -126.989
where: short stacking energy: -54.821
Base-Backbone interact. energy: -0.008
local terms energy: -58.688605
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -11.108
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -9.181
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: 8, replica: 6
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -170.476304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.476304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.476304 (E_RNA)
where:
Base-Base interactions energy: -116.605
where: short stacking energy: -54.436
Base-Backbone interact. energy: -0.027
local terms energy: -53.844223
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -10.783
flat angles C4'-P-C4' energy: -9.307
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -12.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -94.968651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.968651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.968651 (E_RNA)
where:
Base-Base interactions energy: -41.275
where: short stacking energy: -41.275
Base-Backbone interact. energy: -0.054
local terms energy: -53.639372
where:
bonds (distance) C4'-P energy: -10.305
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -8.931
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -10.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -73.884732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.884732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.884732 (E_RNA)
where:
Base-Base interactions energy: -32.190
where: short stacking energy: -30.601
Base-Backbone interact. energy: -0.076
local terms energy: -41.618935
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -9.618
flat angles P-C4'-P energy: -3.886
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: 3
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -210.183416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.183416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.183416 (E_RNA)
where:
Base-Base interactions energy: -145.569
where: short stacking energy: -59.220
Base-Backbone interact. energy: -0.001
local terms energy: -64.612586
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -7.364
tors. eta vs tors. theta energy: -14.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -206.014931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.014931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.014931 (E_RNA)
where:
Base-Base interactions energy: -141.104
where: short stacking energy: -65.791
Base-Backbone interact. energy: -0.001
local terms energy: -64.909989
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -18.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -202.781767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.781767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.781767 (E_RNA)
where:
Base-Base interactions energy: -140.485
where: short stacking energy: -67.881
Base-Backbone interact. energy: -0.783
local terms energy: -61.514570
where:
bonds (distance) C4'-P energy: -8.829
bonds (distance) P-C4' energy: -9.942
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -18.752
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: 8
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -205.937736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.937736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.937736 (E_RNA)
where:
Base-Base interactions energy: -139.914
where: short stacking energy: -64.085
Base-Backbone interact. energy: -0.691
local terms energy: -65.333084
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -9.467
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -18.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -202.549689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.549689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.549689 (E_RNA)
where:
Base-Base interactions energy: -140.009
where: short stacking energy: -64.715
Base-Backbone interact. energy: -0.009
local terms energy: -62.531235
where:
bonds (distance) C4'-P energy: -10.688
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -4.730
tors. eta vs tors. theta energy: -19.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -191.986941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.986941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.986941 (E_RNA)
where:
Base-Base interactions energy: -128.341
where: short stacking energy: -54.893
Base-Backbone interact. energy: -0.116
local terms energy: -63.529938
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -10.796
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -17.266
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: 9
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -188.891328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.891328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.891328 (E_RNA)
where:
Base-Base interactions energy: -132.441
where: short stacking energy: -54.744
Base-Backbone interact. energy: -0.012
local terms energy: -56.438444
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -6.709
flat angles C4'-P-C4' energy: -11.325
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -16.793
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: 6
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -190.262113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.262113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.262113 (E_RNA)
where:
Base-Base interactions energy: -131.281
where: short stacking energy: -60.246
Base-Backbone interact. energy: -0.045
local terms energy: -58.936232
where:
bonds (distance) C4'-P energy: -9.698
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -11.964
flat angles P-C4'-P energy: -6.701
tors. eta vs tors. theta energy: -17.284
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: 10
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -82.851339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.851339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.851339 (E_RNA)
where:
Base-Base interactions energy: -38.992
where: short stacking energy: -28.215
Base-Backbone interact. energy: -0.008
local terms energy: -43.850573
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -9.179
flat angles P-C4'-P energy: -3.988
tors. eta vs tors. theta energy: -2.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -72.988276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.988276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.988276 (E_RNA)
where:
Base-Base interactions energy: -39.877
where: short stacking energy: -24.300
Base-Backbone interact. energy: -0.805
local terms energy: -32.306986
where:
bonds (distance) C4'-P energy: -9.139
bonds (distance) P-C4' energy: -6.627
flat angles C4'-P-C4' energy: -5.947
flat angles P-C4'-P energy: -5.345
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: 1
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -212.465911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.465911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.465911 (E_RNA)
where:
Base-Base interactions energy: -147.318
where: short stacking energy: -62.258
Base-Backbone interact. energy: -0.305
local terms energy: -64.843310
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -16.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -209.659053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.659053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.659053 (E_RNA)
where:
Base-Base interactions energy: -137.365
where: short stacking energy: -62.911
Base-Backbone interact. energy: -0.225
local terms energy: -72.068701
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -19.083
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: 352
Temperature: 1.000000
Total energy: -214.577351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.577351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.577351 (E_RNA)
where:
Base-Base interactions energy: -145.730
where: short stacking energy: -70.001
Base-Backbone interact. energy: -0.001
local terms energy: -68.846662
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: -19.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -196.296598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.296598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.296598 (E_RNA)
where:
Base-Base interactions energy: -132.040
where: short stacking energy: -62.175
Base-Backbone interact. energy: -0.291
local terms energy: -63.966366
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -16.277
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: 352
Temperature: 1.100000
Total energy: -199.505992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.505992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.505992 (E_RNA)
where:
Base-Base interactions energy: -134.791
where: short stacking energy: -54.067
Base-Backbone interact. energy: 0.397
local terms energy: -65.111592
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -15.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -190.418667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.418667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.418667 (E_RNA)
where:
Base-Base interactions energy: -126.976
where: short stacking energy: -58.186
Base-Backbone interact. energy: -0.005
local terms energy: -63.438156
where:
bonds (distance) C4'-P energy: -8.538
bonds (distance) P-C4' energy: -14.178
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -15.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -181.220065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.220065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.220065 (E_RNA)
where:
Base-Base interactions energy: -118.704
where: short stacking energy: -52.037
Base-Backbone interact. energy: -0.687
local terms energy: -61.829118
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -10.956
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -15.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -185.852310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.852310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.852310 (E_RNA)
where:
Base-Base interactions energy: -127.189
where: short stacking energy: -61.053
Base-Backbone interact. energy: -0.002
local terms energy: -58.660536
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -9.838
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -3.406
tors. eta vs tors. theta energy: -18.764
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: 2
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -79.739965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.739965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.739965 (E_RNA)
where:
Base-Base interactions energy: -33.064
where: short stacking energy: -26.336
Base-Backbone interact. energy: -0.014
local terms energy: -46.661674
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -4.984
tors. eta vs tors. theta energy: -3.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -74.420064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.420064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.420064 (E_RNA)
where:
Base-Base interactions energy: -30.578
where: short stacking energy: -28.459
Base-Backbone interact. energy: -0.197
local terms energy: -43.645360
where:
bonds (distance) C4'-P energy: -10.653
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -9.741
flat angles P-C4'-P energy: -5.890
tors. eta vs tors. theta energy: -4.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -210.805869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.805869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.805869 (E_RNA)
where:
Base-Base interactions energy: -141.702
where: short stacking energy: -62.904
Base-Backbone interact. energy: -1.247
local terms energy: -67.856292
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -18.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -212.791379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.791379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.791379 (E_RNA)
where:
Base-Base interactions energy: -144.337
where: short stacking energy: -67.603
Base-Backbone interact. energy: -0.005
local terms energy: -68.449418
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -17.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -197.982346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.982346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.982346 (E_RNA)
where:
Base-Base interactions energy: -134.221
where: short stacking energy: -62.458
Base-Backbone interact. energy: -0.000
local terms energy: -63.761274
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -14.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -202.041046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.041046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.041046 (E_RNA)
where:
Base-Base interactions energy: -140.540
where: short stacking energy: -60.311
Base-Backbone interact. energy: -0.472
local terms energy: -61.028918
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -14.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -193.422272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.422272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.422272 (E_RNA)
where:
Base-Base interactions energy: -130.952
where: short stacking energy: -55.374
Base-Backbone interact. energy: -1.007
local terms energy: -61.462658
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -13.330
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -13.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -192.329052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.329052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.329052 (E_RNA)
where:
Base-Base interactions energy: -135.211
where: short stacking energy: -60.082
Base-Backbone interact. energy: -0.672
local terms energy: -56.445916
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -9.310
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -15.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -192.327452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.327452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.327452 (E_RNA)
where:
Base-Base interactions energy: -132.546
where: short stacking energy: -55.984
Base-Backbone interact. energy: -0.304
local terms energy: -59.478063
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -9.085
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: -14.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -177.306245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.306245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.306245 (E_RNA)
where:
Base-Base interactions energy: -126.455
where: short stacking energy: -52.704
Base-Backbone interact. energy: 0.006
local terms energy: -50.856984
where:
bonds (distance) C4'-P energy: -7.047
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -9.091
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -10.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -140.692822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.692822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.692822 (E_RNA)
where:
Base-Base interactions energy: -86.186
where: short stacking energy: -35.848
Base-Backbone interact. energy: -0.001
local terms energy: -54.505350
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -11.534
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -7.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -72.047700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.047700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.047700 (E_RNA)
where:
Base-Base interactions energy: -27.579
where: short stacking energy: -27.579
Base-Backbone interact. energy: -0.081
local terms energy: -44.387089
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -8.681
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: 0.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -213.286295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.286295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.286295 (E_RNA)
where:
Base-Base interactions energy: -146.250
where: short stacking energy: -56.176
Base-Backbone interact. energy: -0.560
local terms energy: -66.476393
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -13.059
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -17.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -208.051061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.051061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.051061 (E_RNA)
where:
Base-Base interactions energy: -145.253
where: short stacking energy: -59.225
Base-Backbone interact. energy: -0.743
local terms energy: -62.054519
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -7.779
tors. eta vs tors. theta energy: -14.828
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: 8
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -204.528551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.528551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.528551 (E_RNA)
where:
Base-Base interactions energy: -134.926
where: short stacking energy: -62.833
Base-Backbone interact. energy: -0.244
local terms energy: -69.358285
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -20.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -204.295006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.295006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.295006 (E_RNA)
where:
Base-Base interactions energy: -140.331
where: short stacking energy: -62.114
Base-Backbone interact. energy: -0.001
local terms energy: -63.963538
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -10.787
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -15.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -198.729054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.729054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.729054 (E_RNA)
where:
Base-Base interactions energy: -138.196
where: short stacking energy: -59.086
Base-Backbone interact. energy: 1.420
local terms energy: -61.953175
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -11.139
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -15.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -190.826843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.826843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.826843 (E_RNA)
where:
Base-Base interactions energy: -134.881
where: short stacking energy: -59.155
Base-Backbone interact. energy: -0.101
local terms energy: -55.845183
where:
bonds (distance) C4'-P energy: -4.249
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -10.610
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -16.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -191.569684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.569684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.569684 (E_RNA)
where:
Base-Base interactions energy: -126.646
where: short stacking energy: -51.394
Base-Backbone interact. energy: -0.420
local terms energy: -64.504081
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -12.735
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -14.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -187.312453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.312453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.312453 (E_RNA)
where:
Base-Base interactions energy: -127.968
where: short stacking energy: -62.731
Base-Backbone interact. energy: -0.001
local terms energy: -59.343711
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -6.464
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -18.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -73.892149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.892149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.892149 (E_RNA)
where:
Base-Base interactions energy: -26.451
where: short stacking energy: -26.451
Base-Backbone interact. energy: -0.011
local terms energy: -47.429816
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -10.862
flat angles C4'-P-C4' energy: -9.812
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -2.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -138.810643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.810643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.810643 (E_RNA)
where:
Base-Base interactions energy: -92.725
where: short stacking energy: -45.417
Base-Backbone interact. energy: -0.025
local terms energy: -46.060504
where:
bonds (distance) C4'-P energy: -9.540
bonds (distance) P-C4' energy: -11.142
flat angles C4'-P-C4' energy: -8.318
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -7.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -209.959976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.959976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.959976 (E_RNA)
where:
Base-Base interactions energy: -151.788
where: short stacking energy: -54.574
Base-Backbone interact. energy: -0.246
local terms energy: -57.925654
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -12.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -209.074879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.074879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.074879 (E_RNA)
where:
Base-Base interactions energy: -143.640
where: short stacking energy: -64.628
Base-Backbone interact. energy: -0.000
local terms energy: -65.434252
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -10.143
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -19.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -205.688978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.688978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.688978 (E_RNA)
where:
Base-Base interactions energy: -141.066
where: short stacking energy: -65.667
Base-Backbone interact. energy: -0.000
local terms energy: -64.622853
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -6.353
tors. eta vs tors. theta energy: -18.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -205.106239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.106239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.106239 (E_RNA)
where:
Base-Base interactions energy: -136.923
where: short stacking energy: -60.472
Base-Backbone interact. energy: -0.135
local terms energy: -68.048664
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -17.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -197.954229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.954229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.954229 (E_RNA)
where:
Base-Base interactions energy: -137.383
where: short stacking energy: -66.213
Base-Backbone interact. energy: -0.160
local terms energy: -60.411849
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -9.551
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -17.541
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: 9
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -190.107398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.107398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.107398 (E_RNA)
where:
Base-Base interactions energy: -129.197
where: short stacking energy: -53.999
Base-Backbone interact. energy: -0.101
local terms energy: -60.810120
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -14.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -183.336782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.336782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.336782 (E_RNA)
where:
Base-Base interactions energy: -124.995
where: short stacking energy: -49.191
Base-Backbone interact. energy: -0.102
local terms energy: -58.239593
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -9.520
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -11.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -196.292599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.292599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.292599 (E_RNA)
where:
Base-Base interactions energy: -137.067
where: short stacking energy: -59.753
Base-Backbone interact. energy: -0.002
local terms energy: -59.223045
where:
bonds (distance) C4'-P energy: -9.487
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -10.672
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -17.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -74.928008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.928008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.928008 (E_RNA)
where:
Base-Base interactions energy: -28.835
where: short stacking energy: -28.835
Base-Backbone interact. energy: -0.187
local terms energy: -45.906409
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -9.685
flat angles P-C4'-P energy: -9.258
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: 10, replica: 2
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -168.037220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.037220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.037220 (E_RNA)
where:
Base-Base interactions energy: -122.194
where: short stacking energy: -50.426
Base-Backbone interact. energy: -0.001
local terms energy: -45.842506
where:
bonds (distance) C4'-P energy: -8.575
bonds (distance) P-C4' energy: -9.907
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -3.091
tors. eta vs tors. theta energy: -11.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -204.071844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.071844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.071844 (E_RNA)
where:
Base-Base interactions energy: -148.369
where: short stacking energy: -56.037
Base-Backbone interact. energy: -0.101
local terms energy: -55.601893
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -10.688
flat angles C4'-P-C4' energy: -10.871
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -13.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -210.639457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.639457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.639457 (E_RNA)
where:
Base-Base interactions energy: -140.839
where: short stacking energy: -61.649
Base-Backbone interact. energy: -0.487
local terms energy: -69.313305
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -17.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -202.764201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.764201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.764201 (E_RNA)
where:
Base-Base interactions energy: -139.047
where: short stacking energy: -61.403
Base-Backbone interact. energy: -0.534
local terms energy: -63.182435
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -9.709
flat angles C4'-P-C4' energy: -11.852
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -17.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -210.417748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.417748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.417748 (E_RNA)
where:
Base-Base interactions energy: -140.485
where: short stacking energy: -66.289
Base-Backbone interact. energy: -0.430
local terms energy: -69.502717
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -14.509
flat angles C4'-P-C4' energy: -11.036
flat angles P-C4'-P energy: -11.668
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: 5, replica: 9
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -195.171096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.171096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.171096 (E_RNA)
where:
Base-Base interactions energy: -128.941
where: short stacking energy: -59.969
Base-Backbone interact. energy: -0.747
local terms energy: -65.483488
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -5.385
tors. eta vs tors. theta energy: -18.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -197.688270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.688270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.688270 (E_RNA)
where:
Base-Base interactions energy: -134.384
where: short stacking energy: -56.296
Base-Backbone interact. energy: -0.041
local terms energy: -63.263330
where:
bonds (distance) C4'-P energy: -9.622
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -15.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -188.044353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.044353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.044353 (E_RNA)
where:
Base-Base interactions energy: -120.141
where: short stacking energy: -56.711
Base-Backbone interact. energy: -0.011
local terms energy: -67.892959
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -19.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -179.372137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.372137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.372137 (E_RNA)
where:
Base-Base interactions energy: -118.570
where: short stacking energy: -49.422
Base-Backbone interact. energy: -0.025
local terms energy: -60.777413
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -12.858
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -12.831
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: 356
Temperature: 1.300000
Total energy: -162.965103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.965103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.965103 (E_RNA)
where:
Base-Base interactions energy: -119.483
where: short stacking energy: -50.079
Base-Backbone interact. energy: -0.049
local terms energy: -43.433202
where:
bonds (distance) C4'-P energy: -6.634
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -8.327
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -7.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -64.551148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.551148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.551148 (E_RNA)
where:
Base-Base interactions energy: -24.135
where: short stacking energy: -24.135
Base-Backbone interact. energy: -0.678
local terms energy: -39.737962
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -10.626
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -4.801
tors. eta vs tors. theta energy: 0.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -213.768933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.768933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.768933 (E_RNA)
where:
Base-Base interactions energy: -151.347
where: short stacking energy: -52.682
Base-Backbone interact. energy: -0.536
local terms energy: -61.885627
where:
bonds (distance) C4'-P energy: -10.187
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -12.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -201.128981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.128981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.128981 (E_RNA)
where:
Base-Base interactions energy: -141.872
where: short stacking energy: -56.625
Base-Backbone interact. energy: -0.007
local terms energy: -59.249109
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -12.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -207.598466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.598466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.598466 (E_RNA)
where:
Base-Base interactions energy: -142.053
where: short stacking energy: -65.307
Base-Backbone interact. energy: 0.155
local terms energy: -65.700485
where:
bonds (distance) C4'-P energy: -11.011
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -18.045
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: 4
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -206.231303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.231303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.231303 (E_RNA)
where:
Base-Base interactions energy: -140.673
where: short stacking energy: -66.165
Base-Backbone interact. energy: -0.417
local terms energy: -65.141636
where:
bonds (distance) C4'-P energy: -10.133
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -19.594
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: 5, replica: 9
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -190.867851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.867851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.867851 (E_RNA)
where:
Base-Base interactions energy: -126.814
where: short stacking energy: -58.063
Base-Backbone interact. energy: -0.051
local terms energy: -64.002902
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -10.059
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -9.607
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: 6, replica: 7
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -200.253470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.253470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.253470 (E_RNA)
where:
Base-Base interactions energy: -135.439
where: short stacking energy: -66.010
Base-Backbone interact. energy: -0.000
local terms energy: -64.813816
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -16.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -181.212689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.212689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.212689 (E_RNA)
where:
Base-Base interactions energy: -125.374
where: short stacking energy: -52.002
Base-Backbone interact. energy: -0.321
local terms energy: -55.518039
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -11.455
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -11.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -177.924739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.924739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.924739 (E_RNA)
where:
Base-Base interactions energy: -123.753
where: short stacking energy: -53.227
Base-Backbone interact. energy: -0.740
local terms energy: -53.431751
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -12.158
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -5.548
tors. eta vs tors. theta energy: -10.461
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: 6
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -141.243096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.243096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.243096 (E_RNA)
where:
Base-Base interactions energy: -86.053
where: short stacking energy: -45.667
Base-Backbone interact. energy: -0.967
local terms energy: -54.223142
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -10.914
flat angles P-C4'-P energy: -5.290
tors. eta vs tors. theta energy: -10.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -66.144490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.144490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.144490 (E_RNA)
where:
Base-Base interactions energy: -20.916
where: short stacking energy: -20.916
Base-Backbone interact. energy: -0.130
local terms energy: -45.098962
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -10.408
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: 1.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -214.126264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.126264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.126264 (E_RNA)
where:
Base-Base interactions energy: -144.336
where: short stacking energy: -66.336
Base-Backbone interact. energy: -2.207
local terms energy: -67.582637
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -18.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -207.750502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.750502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.750502 (E_RNA)
where:
Base-Base interactions energy: -142.159
where: short stacking energy: -61.534
Base-Backbone interact. energy: -0.086
local terms energy: -65.505559
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -8.824
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: 4
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -203.727647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.727647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.727647 (E_RNA)
where:
Base-Base interactions energy: -134.802
where: short stacking energy: -58.928
Base-Backbone interact. energy: -0.188
local terms energy: -68.738279
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -15.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -205.240318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.240318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.240318 (E_RNA)
where:
Base-Base interactions energy: -140.004
where: short stacking energy: -69.012
Base-Backbone interact. energy: -0.576
local terms energy: -64.660508
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -6.980
tors. eta vs tors. theta energy: -17.117
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: 7
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -200.452932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.452932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.452932 (E_RNA)
where:
Base-Base interactions energy: -134.396
where: short stacking energy: -65.686
Base-Backbone interact. energy: 0.205
local terms energy: -66.261917
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: -19.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -193.312708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.312708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.312708 (E_RNA)
where:
Base-Base interactions energy: -132.944
where: short stacking energy: -57.125
Base-Backbone interact. energy: -0.744
local terms energy: -59.624441
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -9.730
flat angles C4'-P-C4' energy: -11.016
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -15.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -186.027806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.027806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.027806 (E_RNA)
where:
Base-Base interactions energy: -133.709
where: short stacking energy: -50.096
Base-Backbone interact. energy: -0.012
local terms energy: -52.307008
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -7.164
flat angles C4'-P-C4' energy: -9.990
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -13.779
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: 8, replica: 5
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -189.701567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.701567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.701567 (E_RNA)
where:
Base-Base interactions energy: -133.012
where: short stacking energy: -61.755
Base-Backbone interact. energy: -0.018
local terms energy: -56.671045
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -8.505
flat angles C4'-P-C4' energy: -10.435
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -17.735
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: 6
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -166.190196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.190196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.190196 (E_RNA)
where:
Base-Base interactions energy: -112.119
where: short stacking energy: -47.571
Base-Backbone interact. energy: -0.718
local terms energy: -53.353152
where:
bonds (distance) C4'-P energy: -7.139
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -10.591
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: 10
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -84.501171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.501171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.501171 (E_RNA)
where:
Base-Base interactions energy: -41.290
where: short stacking energy: -37.386
Base-Backbone interact. energy: -0.039
local terms energy: -43.172115
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -11.569
flat angles C4'-P-C4' energy: -8.516
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -1.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -207.221326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.221326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.221326 (E_RNA)
where:
Base-Base interactions energy: -142.862
where: short stacking energy: -68.522
Base-Backbone interact. energy: -0.005
local terms energy: -64.354045
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -16.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -208.394237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.394237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.394237 (E_RNA)
where:
Base-Base interactions energy: -137.260
where: short stacking energy: -63.060
Base-Backbone interact. energy: -0.692
local terms energy: -70.442950
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -16.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -203.591484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.591484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.591484 (E_RNA)
where:
Base-Base interactions energy: -139.842
where: short stacking energy: -66.019
Base-Backbone interact. energy: -0.389
local terms energy: -63.360190
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -12.688
flat angles C4'-P-C4' energy: -11.286
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -17.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -199.932484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.932484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.932484 (E_RNA)
where:
Base-Base interactions energy: -133.981
where: short stacking energy: -58.082
Base-Backbone interact. energy: -0.740
local terms energy: -65.211161
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -12.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -198.658589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.658589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.658589 (E_RNA)
where:
Base-Base interactions energy: -134.681
where: short stacking energy: -61.410
Base-Backbone interact. energy: -0.682
local terms energy: -63.296557
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -10.819
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -17.789
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: 2
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -199.720105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.720105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.720105 (E_RNA)
where:
Base-Base interactions energy: -131.836
where: short stacking energy: -58.241
Base-Backbone interact. energy: -0.320
local terms energy: -67.564158
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -15.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -191.264386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.264386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.264386 (E_RNA)
where:
Base-Base interactions energy: -134.517
where: short stacking energy: -56.660
Base-Backbone interact. energy: -0.097
local terms energy: -56.650578
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -9.079
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -15.260
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: 6
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -177.918022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.918022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.918022 (E_RNA)
where:
Base-Base interactions energy: -123.056
where: short stacking energy: -40.536
Base-Backbone interact. energy: 0.574
local terms energy: -55.436343
where:
bonds (distance) C4'-P energy: -7.738
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -10.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -171.302042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.302042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.302042 (E_RNA)
where:
Base-Base interactions energy: -118.948
where: short stacking energy: -54.697
Base-Backbone interact. energy: -0.005
local terms energy: -52.348870
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -4.818
tors. eta vs tors. theta energy: -12.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -66.919306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.919306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.919306 (E_RNA)
where:
Base-Base interactions energy: -28.377
where: short stacking energy: -26.704
Base-Backbone interact. energy: -0.100
local terms energy: -38.441954
where:
bonds (distance) C4'-P energy: -7.793
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -4.438
tors. eta vs tors. theta energy: -2.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -214.150833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.150833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.150833 (E_RNA)
where:
Base-Base interactions energy: -143.122
where: short stacking energy: -60.286
Base-Backbone interact. energy: -1.221
local terms energy: -69.808231
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -17.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -202.353310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.353310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.353310 (E_RNA)
where:
Base-Base interactions energy: -141.124
where: short stacking energy: -58.739
Base-Backbone interact. energy: -1.137
local terms energy: -60.091817
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -9.618
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -13.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -208.479585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.479585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.479585 (E_RNA)
where:
Base-Base interactions energy: -144.072
where: short stacking energy: -56.162
Base-Backbone interact. energy: -0.542
local terms energy: -63.865837
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -15.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -201.137106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.137106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.137106 (E_RNA)
where:
Base-Base interactions energy: -137.737
where: short stacking energy: -69.669
Base-Backbone interact. energy: -0.001
local terms energy: -63.398711
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -4.970
tors. eta vs tors. theta energy: -17.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -195.459770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.459770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.459770 (E_RNA)
where:
Base-Base interactions energy: -128.954
where: short stacking energy: -63.361
Base-Backbone interact. energy: -0.015
local terms energy: -66.489864
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -7.820
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -19.107
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: 2
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -194.924882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.924882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.924882 (E_RNA)
where:
Base-Base interactions energy: -132.750
where: short stacking energy: -54.468
Base-Backbone interact. energy: -0.001
local terms energy: -62.173887
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -16.070
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: 9
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -194.176284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.176284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.176284 (E_RNA)
where:
Base-Base interactions energy: -130.683
where: short stacking energy: -48.918
Base-Backbone interact. energy: -0.121
local terms energy: -63.372468
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -15.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -182.481036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.481036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.481036 (E_RNA)
where:
Base-Base interactions energy: -118.366
where: short stacking energy: -48.789
Base-Backbone interact. energy: -0.099
local terms energy: -64.015379
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -13.019
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -15.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -173.007849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.007849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.007849 (E_RNA)
where:
Base-Base interactions energy: -120.378
where: short stacking energy: -47.674
Base-Backbone interact. energy: -0.559
local terms energy: -52.071156
where:
bonds (distance) C4'-P energy: -9.236
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -4.762
tors. eta vs tors. theta energy: -11.314
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: 10
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -67.138191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.138191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.138191 (E_RNA)
where:
Base-Base interactions energy: -33.848
where: short stacking energy: -28.952
Base-Backbone interact. energy: 1.650
local terms energy: -34.940607
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -6.820
flat angles C4'-P-C4' energy: -9.256
flat angles P-C4'-P energy: -5.157
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: 8
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -218.625709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.625709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.625709 (E_RNA)
where:
Base-Base interactions energy: -147.576
where: short stacking energy: -62.184
Base-Backbone interact. energy: -0.213
local terms energy: -70.836201
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -18.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -211.359327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.359327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.359327 (E_RNA)
where:
Base-Base interactions energy: -141.589
where: short stacking energy: -65.963
Base-Backbone interact. energy: -0.297
local terms energy: -69.473284
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -16.475
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: 7
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -209.340739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.340739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.340739 (E_RNA)
where:
Base-Base interactions energy: -135.772
where: short stacking energy: -64.978
Base-Backbone interact. energy: -1.214
local terms energy: -72.354714
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -11.613
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -19.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -205.788453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.788453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.788453 (E_RNA)
where:
Base-Base interactions energy: -136.073
where: short stacking energy: -66.749
Base-Backbone interact. energy: -0.003
local terms energy: -69.712360
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -16.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -200.852109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.852109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.852109 (E_RNA)
where:
Base-Base interactions energy: -138.930
where: short stacking energy: -65.766
Base-Backbone interact. energy: 0.262
local terms energy: -62.183709
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -8.681
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -8.654
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: 6, replica: 9
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -197.558914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.558914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.558914 (E_RNA)
where:
Base-Base interactions energy: -136.771
where: short stacking energy: -57.442
Base-Backbone interact. energy: -0.001
local terms energy: -60.786026
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -6.435
tors. eta vs tors. theta energy: -13.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -188.549112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.549112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.549112 (E_RNA)
where:
Base-Base interactions energy: -131.521
where: short stacking energy: -59.664
Base-Backbone interact. energy: -0.021
local terms energy: -57.007567
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -5.280
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: 5
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -180.557452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.557452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.557452 (E_RNA)
where:
Base-Base interactions energy: -123.261
where: short stacking energy: -58.124
Base-Backbone interact. energy: -0.004
local terms energy: -57.291996
where:
bonds (distance) C4'-P energy: -8.635
bonds (distance) P-C4' energy: -9.290
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -18.719
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: 6
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -163.629107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.629107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.629107 (E_RNA)
where:
Base-Base interactions energy: -114.123
where: short stacking energy: -47.023
Base-Backbone interact. energy: -0.607
local terms energy: -48.898542
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -7.957
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -8.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -73.966089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.966089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.966089 (E_RNA)
where:
Base-Base interactions energy: -29.015
where: short stacking energy: -19.870
Base-Backbone interact. energy: -0.173
local terms energy: -44.778414
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -10.074
flat angles C4'-P-C4' energy: -10.488
flat angles P-C4'-P energy: -6.670
tors. eta vs tors. theta energy: -3.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -207.807464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.807464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.807464 (E_RNA)
where:
Base-Base interactions energy: -136.822
where: short stacking energy: -60.648
Base-Backbone interact. energy: -0.029
local terms energy: -70.956030
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -15.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -211.588893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.588893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.588893 (E_RNA)
where:
Base-Base interactions energy: -142.448
where: short stacking energy: -62.477
Base-Backbone interact. energy: -0.920
local terms energy: -68.221505
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -18.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -206.829444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.829444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.829444 (E_RNA)
where:
Base-Base interactions energy: -141.959
where: short stacking energy: -65.737
Base-Backbone interact. energy: -0.000
local terms energy: -64.870463
where:
bonds (distance) C4'-P energy: -10.724
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -18.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -198.287919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.287919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.287919 (E_RNA)
where:
Base-Base interactions energy: -137.415
where: short stacking energy: -56.567
Base-Backbone interact. energy: -1.528
local terms energy: -59.345489
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -9.142
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: 4
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -209.549169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.549169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.549169 (E_RNA)
where:
Base-Base interactions energy: -141.852
where: short stacking energy: -65.402
Base-Backbone interact. energy: 1.270
local terms energy: -68.966936
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -18.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -190.056120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.056120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.056120 (E_RNA)
where:
Base-Base interactions energy: -135.978
where: short stacking energy: -53.595
Base-Backbone interact. energy: -0.556
local terms energy: -53.521707
where:
bonds (distance) C4'-P energy: -10.326
bonds (distance) P-C4' energy: -11.709
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -10.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -193.322049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.322049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.322049 (E_RNA)
where:
Base-Base interactions energy: -130.993
where: short stacking energy: -58.142
Base-Backbone interact. energy: -1.399
local terms energy: -60.930328
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -9.406
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -17.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -187.064816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.064816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.064816 (E_RNA)
where:
Base-Base interactions energy: -125.349
where: short stacking energy: -56.584
Base-Backbone interact. energy: 0.660
local terms energy: -62.375746
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -15.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -74.713166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.713166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.713166 (E_RNA)
where:
Base-Base interactions energy: -32.975
where: short stacking energy: -25.675
Base-Backbone interact. energy: -0.859
local terms energy: -40.879445
where:
bonds (distance) C4'-P energy: -9.300
bonds (distance) P-C4' energy: -11.333
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: 0.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -76.014213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.014213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.014213 (E_RNA)
where:
Base-Base interactions energy: -27.991
where: short stacking energy: -26.813
Base-Backbone interact. energy: -0.030
local terms energy: -47.993363
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -7.533
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: 3
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -211.001524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.001524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.001524 (E_RNA)
where:
Base-Base interactions energy: -149.939
where: short stacking energy: -63.710
Base-Backbone interact. energy: -0.210
local terms energy: -60.852438
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -15.552
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: 363
Temperature: 0.950000
Total energy: -215.292690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.292690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.292690 (E_RNA)
where:
Base-Base interactions energy: -144.581
where: short stacking energy: -63.869
Base-Backbone interact. energy: -0.860
local terms energy: -69.851567
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -11.712
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -16.904
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: 3, replica: 8
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -207.055729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.055729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.055729 (E_RNA)
where:
Base-Base interactions energy: -141.241
where: short stacking energy: -67.577
Base-Backbone interact. energy: -0.061
local terms energy: -65.753675
where:
bonds (distance) C4'-P energy: -11.508
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -17.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -204.141066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.141066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.141066 (E_RNA)
where:
Base-Base interactions energy: -131.448
where: short stacking energy: -51.870
Base-Backbone interact. energy: -0.434
local terms energy: -72.259088
where:
bonds (distance) C4'-P energy: -12.184
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -17.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -196.964732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.964732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.964732 (E_RNA)
where:
Base-Base interactions energy: -132.873
where: short stacking energy: -59.118
Base-Backbone interact. energy: -0.002
local terms energy: -64.089983
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -10.400
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -17.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -190.883802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.883802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.883802 (E_RNA)
where:
Base-Base interactions energy: -130.925
where: short stacking energy: -60.839
Base-Backbone interact. energy: -0.469
local terms energy: -59.489889
where:
bonds (distance) C4'-P energy: -10.264
bonds (distance) P-C4' energy: -9.344
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -17.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -186.521798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.521798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.521798 (E_RNA)
where:
Base-Base interactions energy: -135.440
where: short stacking energy: -56.274
Base-Backbone interact. energy: -0.022
local terms energy: -51.059753
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -6.929
flat angles C4'-P-C4' energy: -9.395
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -12.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -168.584611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.584611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.584611 (E_RNA)
where:
Base-Base interactions energy: -117.970
where: short stacking energy: -45.456
Base-Backbone interact. energy: -0.211
local terms energy: -50.403612
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -10.218
flat angles C4'-P-C4' energy: -10.819
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -8.076
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: 9, replica: 10
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -88.160065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.160065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.160065 (E_RNA)
where:
Base-Base interactions energy: -45.144
where: short stacking energy: -40.110
Base-Backbone interact. energy: -0.073
local terms energy: -42.943751
where:
bonds (distance) C4'-P energy: -7.806
bonds (distance) P-C4' energy: -6.415
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -5.735
tors. eta vs tors. theta energy: -9.927
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: 6
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -115.930071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.930071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.930071 (E_RNA)
where:
Base-Base interactions energy: -68.219
where: short stacking energy: -35.949
Base-Backbone interact. energy: -0.012
local terms energy: -47.698960
where:
bonds (distance) C4'-P energy: -10.054
bonds (distance) P-C4' energy: -10.602
flat angles C4'-P-C4' energy: -12.634
flat angles P-C4'-P energy: -4.526
tors. eta vs tors. theta energy: -9.883
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: 1
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -210.285639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.285639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.285639 (E_RNA)
where:
Base-Base interactions energy: -135.658
where: short stacking energy: -60.888
Base-Backbone interact. energy: -0.003
local terms energy: -74.624889
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -18.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -210.355835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.355835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.355835 (E_RNA)
where:
Base-Base interactions energy: -141.990
where: short stacking energy: -68.588
Base-Backbone interact. energy: -0.242
local terms energy: -68.123155
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -16.794
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: 7
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -209.700137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.700137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.700137 (E_RNA)
where:
Base-Base interactions energy: -143.532
where: short stacking energy: -67.165
Base-Backbone interact. energy: -0.498
local terms energy: -65.671072
where:
bonds (distance) C4'-P energy: -10.815
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -17.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -202.968479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.968479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.968479 (E_RNA)
where:
Base-Base interactions energy: -137.247
where: short stacking energy: -58.181
Base-Backbone interact. energy: -0.088
local terms energy: -65.633826
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -10.995
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -17.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -203.929705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.929705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.929705 (E_RNA)
where:
Base-Base interactions energy: -138.944
where: short stacking energy: -59.941
Base-Backbone interact. energy: -0.096
local terms energy: -64.889919
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -4.422
tors. eta vs tors. theta energy: -19.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -204.679414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.679414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.679414 (E_RNA)
where:
Base-Base interactions energy: -136.836
where: short stacking energy: -63.344
Base-Backbone interact. energy: -0.074
local terms energy: -67.769339
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -18.555
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: 5
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -192.001970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.001970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.001970 (E_RNA)
where:
Base-Base interactions energy: -131.536
where: short stacking energy: -55.758
Base-Backbone interact. energy: -0.001
local terms energy: -60.465465
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -11.607
flat angles P-C4'-P energy: -5.813
tors. eta vs tors. theta energy: -16.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -173.310934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.310934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.310934 (E_RNA)
where:
Base-Base interactions energy: -119.822
where: short stacking energy: -46.071
Base-Backbone interact. energy: -0.222
local terms energy: -53.266965
where:
bonds (distance) C4'-P energy: -7.017
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -10.202
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -13.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -74.548508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.548508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.548508 (E_RNA)
where:
Base-Base interactions energy: -30.411
where: short stacking energy: -30.411
Base-Backbone interact. energy: -0.072
local terms energy: -44.066196
where:
bonds (distance) C4'-P energy: -9.485
bonds (distance) P-C4' energy: -10.528
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -5.859
tors. eta vs tors. theta energy: -2.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -71.325286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.325286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.325286 (E_RNA)
where:
Base-Base interactions energy: -25.414
where: short stacking energy: -25.414
Base-Backbone interact. energy: -0.179
local terms energy: -45.731480
where:
bonds (distance) C4'-P energy: -6.915
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -4.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -210.083511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.083511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.083511 (E_RNA)
where:
Base-Base interactions energy: -138.565
where: short stacking energy: -64.612
Base-Backbone interact. energy: -0.006
local terms energy: -71.512396
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -20.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -212.112400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.112400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.112400 (E_RNA)
where:
Base-Base interactions energy: -139.373
where: short stacking energy: -66.594
Base-Backbone interact. energy: -0.133
local terms energy: -72.606078
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -11.855
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -20.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -205.503400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.503400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.503400 (E_RNA)
where:
Base-Base interactions energy: -140.536
where: short stacking energy: -63.184
Base-Backbone interact. energy: -1.811
local terms energy: -63.156218
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -10.722
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -17.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -204.309565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.309565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.309565 (E_RNA)
where:
Base-Base interactions energy: -134.317
where: short stacking energy: -61.099
Base-Backbone interact. energy: -0.336
local terms energy: -69.656766
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -9.244
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: 5, replica: 8
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -195.439380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.439380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.439380 (E_RNA)
where:
Base-Base interactions energy: -130.646
where: short stacking energy: -57.845
Base-Backbone interact. energy: -0.000
local terms energy: -64.793404
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: -16.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -195.955392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.955392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.955392 (E_RNA)
where:
Base-Base interactions energy: -133.766
where: short stacking energy: -57.923
Base-Backbone interact. energy: -0.073
local terms energy: -62.115627
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: -16.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -192.789847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.789847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.789847 (E_RNA)
where:
Base-Base interactions energy: -141.018
where: short stacking energy: -58.507
Base-Backbone interact. energy: -0.051
local terms energy: -51.720791
where:
bonds (distance) C4'-P energy: -9.448
bonds (distance) P-C4' energy: -8.575
flat angles C4'-P-C4' energy: -11.156
flat angles P-C4'-P energy: -8.543
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: 8, replica: 10
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -88.834348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.834348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.834348 (E_RNA)
where:
Base-Base interactions energy: -33.383
where: short stacking energy: -33.383
Base-Backbone interact. energy: -0.226
local terms energy: -55.225480
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -12.858
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -10.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -177.651202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.651202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.651202 (E_RNA)
where:
Base-Base interactions energy: -121.047
where: short stacking energy: -51.305
Base-Backbone interact. energy: -0.071
local terms energy: -56.533533
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -10.012
flat angles P-C4'-P energy: -6.543
tors. eta vs tors. theta energy: -13.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -66.130818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.130818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.130818 (E_RNA)
where:
Base-Base interactions energy: -23.418
where: short stacking energy: -18.507
Base-Backbone interact. energy: -0.111
local terms energy: -42.601804
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -9.571
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -0.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -215.092966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.092966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.092966 (E_RNA)
where:
Base-Base interactions energy: -143.660
where: short stacking energy: -70.203
Base-Backbone interact. energy: -0.414
local terms energy: -71.018695
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -19.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -207.589400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.589400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.589400 (E_RNA)
where:
Base-Base interactions energy: -140.346
where: short stacking energy: -69.103
Base-Backbone interact. energy: -0.322
local terms energy: -66.921483
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -11.400
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -19.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -207.112437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.112437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.112437 (E_RNA)
where:
Base-Base interactions energy: -143.909
where: short stacking energy: -62.376
Base-Backbone interact. energy: -0.000
local terms energy: -63.203412
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -8.867
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -16.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -196.347820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.347820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.347820 (E_RNA)
where:
Base-Base interactions energy: -129.762
where: short stacking energy: -59.300
Base-Backbone interact. energy: -0.027
local terms energy: -66.558722
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -15.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -204.186084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.186084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.186084 (E_RNA)
where:
Base-Base interactions energy: -145.162
where: short stacking energy: -57.999
Base-Backbone interact. energy: -1.122
local terms energy: -57.902655
where:
bonds (distance) C4'-P energy: -7.997
bonds (distance) P-C4' energy: -11.111
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -7.265
tors. eta vs tors. theta energy: -15.822
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: 8
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -191.964507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.964507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.964507 (E_RNA)
where:
Base-Base interactions energy: -130.844
where: short stacking energy: -60.797
Base-Backbone interact. energy: 0.710
local terms energy: -61.830622
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -16.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -189.550981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.550981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.550981 (E_RNA)
where:
Base-Base interactions energy: -129.081
where: short stacking energy: -60.830
Base-Backbone interact. energy: -0.339
local terms energy: -60.131167
where:
bonds (distance) C4'-P energy: -8.770
bonds (distance) P-C4' energy: -9.696
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -17.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -94.659198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.659198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.659198 (E_RNA)
where:
Base-Base interactions energy: -42.371
where: short stacking energy: -27.710
Base-Backbone interact. energy: -0.162
local terms energy: -52.125945
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: -2.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -162.561914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.561914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.561914 (E_RNA)
where:
Base-Base interactions energy: -118.661
where: short stacking energy: -44.675
Base-Backbone interact. energy: -0.037
local terms energy: -43.863439
where:
bonds (distance) C4'-P energy: -4.340
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -5.383
tors. eta vs tors. theta energy: -10.705
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: 6
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -73.077622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.077622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.077622 (E_RNA)
where:
Base-Base interactions energy: -35.875
where: short stacking energy: -16.169
Base-Backbone interact. energy: 2.360
local terms energy: -39.562099
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -8.023
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: 0.876
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: 1
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -218.386860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.386860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.386860 (E_RNA)
where:
Base-Base interactions energy: -146.062
where: short stacking energy: -68.251
Base-Backbone interact. energy: -0.789
local terms energy: -71.535810
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -12.333
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -18.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -211.121569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.121569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.121569 (E_RNA)
where:
Base-Base interactions energy: -139.465
where: short stacking energy: -65.752
Base-Backbone interact. energy: -0.177
local terms energy: -71.478956
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -20.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -207.987338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.987338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.987338 (E_RNA)
where:
Base-Base interactions energy: -146.212
where: short stacking energy: -66.471
Base-Backbone interact. energy: -0.333
local terms energy: -61.442043
where:
bonds (distance) C4'-P energy: -7.873
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -16.863
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: 3
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -201.636835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.636835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.636835 (E_RNA)
where:
Base-Base interactions energy: -136.893
where: short stacking energy: -68.874
Base-Backbone interact. energy: -0.001
local terms energy: -64.742076
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -11.607
flat angles P-C4'-P energy: -7.260
tors. eta vs tors. theta energy: -16.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -203.998433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.998433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.998433 (E_RNA)
where:
Base-Base interactions energy: -137.217
where: short stacking energy: -64.947
Base-Backbone interact. energy: -2.014
local terms energy: -64.766616
where:
bonds (distance) C4'-P energy: -9.747
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -18.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -201.124643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.124643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.124643 (E_RNA)
where:
Base-Base interactions energy: -135.625
where: short stacking energy: -59.565
Base-Backbone interact. energy: -0.287
local terms energy: -65.213106
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -11.233
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -19.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -180.435434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.435434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.435434 (E_RNA)
where:
Base-Base interactions energy: -130.387
where: short stacking energy: -49.637
Base-Backbone interact. energy: 0.285
local terms energy: -50.333805
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -6.949
flat angles C4'-P-C4' energy: -7.663
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -15.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -160.710429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.710429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.710429 (E_RNA)
where:
Base-Base interactions energy: -109.633
where: short stacking energy: -45.003
Base-Backbone interact. energy: -0.828
local terms energy: -50.249562
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -9.775
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -7.604
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: 9, replica: 10
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -73.917947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.917947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.917947 (E_RNA)
where:
Base-Base interactions energy: -28.020
where: short stacking energy: -23.559
Base-Backbone interact. energy: -0.233
local terms energy: -45.664475
where:
bonds (distance) C4'-P energy: -10.355
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -5.705
tors. eta vs tors. theta energy: -3.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -68.992980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.992980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.992980 (E_RNA)
where:
Base-Base interactions energy: -33.157
where: short stacking energy: -15.662
Base-Backbone interact. energy: 0.798
local terms energy: -36.634149
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -7.806
flat angles P-C4'-P energy: -5.991
tors. eta vs tors. theta energy: 0.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -212.754811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.754811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.754811 (E_RNA)
where:
Base-Base interactions energy: -140.104
where: short stacking energy: -57.219
Base-Backbone interact. energy: -1.778
local terms energy: -70.872267
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -17.594
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: 1
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -207.016774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.016774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.016774 (E_RNA)
where:
Base-Base interactions energy: -145.052
where: short stacking energy: -67.241
Base-Backbone interact. energy: -0.299
local terms energy: -61.665559
where:
bonds (distance) C4'-P energy: -8.746
bonds (distance) P-C4' energy: -13.137
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -16.564
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: 368
Temperature: 1.000000
Total energy: -202.537906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.537906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.537906 (E_RNA)
where:
Base-Base interactions energy: -138.271
where: short stacking energy: -62.033
Base-Backbone interact. energy: -0.001
local terms energy: -64.266219
where:
bonds (distance) C4'-P energy: -9.943
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -11.380
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -20.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -197.734647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.734647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.734647 (E_RNA)
where:
Base-Base interactions energy: -140.550
where: short stacking energy: -57.422
Base-Backbone interact. energy: -0.037
local terms energy: -57.148006
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -10.187
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -13.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -204.824590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.824590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.824590 (E_RNA)
where:
Base-Base interactions energy: -141.988
where: short stacking energy: -65.037
Base-Backbone interact. energy: -0.488
local terms energy: -62.347885
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -8.848
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -18.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -203.388915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.388915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.388915 (E_RNA)
where:
Base-Base interactions energy: -134.584
where: short stacking energy: -64.184
Base-Backbone interact. energy: -0.002
local terms energy: -68.802385
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -11.266
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -18.143
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: 9
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -193.265946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.265946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.265946 (E_RNA)
where:
Base-Base interactions energy: -131.618
where: short stacking energy: -55.262
Base-Backbone interact. energy: -0.017
local terms energy: -61.630561
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -11.395
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -16.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -185.484608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.484608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.484608 (E_RNA)
where:
Base-Base interactions energy: -129.233
where: short stacking energy: -57.038
Base-Backbone interact. energy: -0.081
local terms energy: -56.170300
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -9.308
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -14.543
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: 6
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -76.797148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.797148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.797148 (E_RNA)
where:
Base-Base interactions energy: -29.756
where: short stacking energy: -29.756
Base-Backbone interact. energy: 1.704
local terms energy: -48.745479
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -8.131
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -7.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -69.575576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.575576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.575576 (E_RNA)
where:
Base-Base interactions energy: -26.362
where: short stacking energy: -26.362
Base-Backbone interact. energy: -1.136
local terms energy: -42.078006
where:
bonds (distance) C4'-P energy: -7.337
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -4.603
tors. eta vs tors. theta energy: -2.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -207.199721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.199721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.199721 (E_RNA)
where:
Base-Base interactions energy: -142.992
where: short stacking energy: -62.519
Base-Backbone interact. energy: -0.000
local terms energy: -64.208020
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -16.935
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: 2, replica: 3
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -203.446537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.446537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.446537 (E_RNA)
where:
Base-Base interactions energy: -137.564
where: short stacking energy: -65.359
Base-Backbone interact. energy: -0.005
local terms energy: -65.878037
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -12.069
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -15.872
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: 1
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -204.918533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.918533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.918533 (E_RNA)
where:
Base-Base interactions energy: -138.700
where: short stacking energy: -65.947
Base-Backbone interact. energy: -0.002
local terms energy: -66.216419
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -16.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -209.211713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.211713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.211713 (E_RNA)
where:
Base-Base interactions energy: -144.037
where: short stacking energy: -65.433
Base-Backbone interact. energy: -0.001
local terms energy: -65.173653
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -11.318
flat angles P-C4'-P energy: -9.213
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: 5, replica: 2
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -202.333285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.333285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.333285 (E_RNA)
where:
Base-Base interactions energy: -135.561
where: short stacking energy: -61.362
Base-Backbone interact. energy: -0.225
local terms energy: -66.547562
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -9.686
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: 9
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -190.935284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.935284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.935284 (E_RNA)
where:
Base-Base interactions energy: -129.977
where: short stacking energy: -55.332
Base-Backbone interact. energy: -0.056
local terms energy: -60.902313
where:
bonds (distance) C4'-P energy: -9.809
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -13.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -192.287111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.287111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.287111 (E_RNA)
where:
Base-Base interactions energy: -136.043
where: short stacking energy: -68.513
Base-Backbone interact. energy: -0.298
local terms energy: -55.946359
where:
bonds (distance) C4'-P energy: -9.230
bonds (distance) P-C4' energy: -10.370
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -4.688
tors. eta vs tors. theta energy: -18.402
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: 4
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -181.775853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.775853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.775853 (E_RNA)
where:
Base-Base interactions energy: -127.852
where: short stacking energy: -51.085
Base-Backbone interact. energy: -0.104
local terms energy: -53.819924
where:
bonds (distance) C4'-P energy: -8.248
bonds (distance) P-C4' energy: -8.957
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -11.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -77.059520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.059520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.059520 (E_RNA)
where:
Base-Base interactions energy: -29.918
where: short stacking energy: -29.918
Base-Backbone interact. energy: -0.095
local terms energy: -47.046522
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -9.567
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -5.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -68.774055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.774055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.774055 (E_RNA)
where:
Base-Base interactions energy: -29.995
where: short stacking energy: -29.995
Base-Backbone interact. energy: -0.028
local terms energy: -38.751058
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -6.435
flat angles C4'-P-C4' energy: -8.709
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: 0.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -210.598473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.598473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.598473 (E_RNA)
where:
Base-Base interactions energy: -139.088
where: short stacking energy: -67.264
Base-Backbone interact. energy: -0.001
local terms energy: -71.509105
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -13.502
tors. eta vs tors. theta energy: -16.831
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: 7
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -210.049684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.049684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.049684 (E_RNA)
where:
Base-Base interactions energy: -138.926
where: short stacking energy: -62.410
Base-Backbone interact. energy: -1.671
local terms energy: -69.452347
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -19.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -208.495558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.495558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.495558 (E_RNA)
where:
Base-Base interactions energy: -139.400
where: short stacking energy: -65.207
Base-Backbone interact. energy: -0.279
local terms energy: -68.816037
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -18.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -203.003898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.003898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.003898 (E_RNA)
where:
Base-Base interactions energy: -138.183
where: short stacking energy: -65.454
Base-Backbone interact. energy: -0.024
local terms energy: -64.796823
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -15.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -190.314239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.314239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.314239 (E_RNA)
where:
Base-Base interactions energy: -127.405
where: short stacking energy: -58.025
Base-Backbone interact. energy: -0.652
local terms energy: -62.256995
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -4.727
tors. eta vs tors. theta energy: -16.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -188.580965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.580965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.580965 (E_RNA)
where:
Base-Base interactions energy: -121.812
where: short stacking energy: -61.092
Base-Backbone interact. energy: -0.298
local terms energy: -66.470776
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -11.289
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -16.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -190.197325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.197325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.197325 (E_RNA)
where:
Base-Base interactions energy: -132.877
where: short stacking energy: -52.574
Base-Backbone interact. energy: -0.087
local terms energy: -57.233667
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -10.084
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -14.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -179.232328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.232328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.232328 (E_RNA)
where:
Base-Base interactions energy: -127.657
where: short stacking energy: -49.602
Base-Backbone interact. energy: -0.023
local terms energy: -51.552593
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -5.927
flat angles C4'-P-C4' energy: -9.569
flat angles P-C4'-P energy: -9.015
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: 9, replica: 10
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -67.958305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.958305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.958305 (E_RNA)
where:
Base-Base interactions energy: -27.505
where: short stacking energy: -25.489
Base-Backbone interact. energy: 0.304
local terms energy: -40.757193
where:
bonds (distance) C4'-P energy: -5.283
bonds (distance) P-C4' energy: -11.732
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -8.317
tors. eta vs tors. theta energy: -3.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -70.394816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.394816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.394816 (E_RNA)
where:
Base-Base interactions energy: -24.694
where: short stacking energy: -24.170
Base-Backbone interact. energy: -0.046
local terms energy: -45.654617
where:
bonds (distance) C4'-P energy: -10.239
bonds (distance) P-C4' energy: -12.741
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -2.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -208.861301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.861301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.861301 (E_RNA)
where:
Base-Base interactions energy: -142.185
where: short stacking energy: -63.216
Base-Backbone interact. energy: -0.005
local terms energy: -66.671353
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -16.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -208.268314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.268314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.268314 (E_RNA)
where:
Base-Base interactions energy: -144.198
where: short stacking energy: -65.394
Base-Backbone interact. energy: -0.001
local terms energy: -64.069974
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -16.954
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: 8
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -196.813064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.813064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.813064 (E_RNA)
where:
Base-Base interactions energy: -137.469
where: short stacking energy: -60.294
Base-Backbone interact. energy: -0.001
local terms energy: -59.343537
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -8.290
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: 4, replica: 1
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -198.931656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.931656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.931656 (E_RNA)
where:
Base-Base interactions energy: -132.058
where: short stacking energy: -63.228
Base-Backbone interact. energy: -0.291
local terms energy: -66.582170
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -16.872
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: 9
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -197.748737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.748737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.748737 (E_RNA)
where:
Base-Base interactions energy: -138.397
where: short stacking energy: -50.831
Base-Backbone interact. energy: -0.245
local terms energy: -59.107570
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -7.684
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -15.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -194.248280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.248280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.248280 (E_RNA)
where:
Base-Base interactions energy: -134.373
where: short stacking energy: -56.840
Base-Backbone interact. energy: -0.000
local terms energy: -59.874581
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -11.305
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -13.120
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: 2
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -193.806242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.806242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.806242 (E_RNA)
where:
Base-Base interactions energy: -133.908
where: short stacking energy: -58.962
Base-Backbone interact. energy: -0.306
local terms energy: -59.592294
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -9.074
flat angles C4'-P-C4' energy: -9.353
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -17.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -181.465051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.465051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.465051 (E_RNA)
where:
Base-Base interactions energy: -124.904
where: short stacking energy: -54.451
Base-Backbone interact. energy: 0.088
local terms energy: -56.649081
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -9.793
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -14.257
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: 10
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -87.160036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.160036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.160036 (E_RNA)
where:
Base-Base interactions energy: -33.238
where: short stacking energy: -32.494
Base-Backbone interact. energy: -0.149
local terms energy: -53.772847
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -10.889
flat angles P-C4'-P energy: -6.871
tors. eta vs tors. theta energy: -10.781
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: 6
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -76.427946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.427946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.427946 (E_RNA)
where:
Base-Base interactions energy: -27.090
where: short stacking energy: -27.090
Base-Backbone interact. energy: -0.001
local terms energy: -49.336388
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -6.462
tors. eta vs tors. theta energy: -8.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -210.413562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.413562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.413562 (E_RNA)
where:
Base-Base interactions energy: -140.452
where: short stacking energy: -63.144
Base-Backbone interact. energy: -0.006
local terms energy: -69.955271
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -12.728
tors. eta vs tors. theta energy: -16.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -204.874622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.874622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.874622 (E_RNA)
where:
Base-Base interactions energy: -143.940
where: short stacking energy: -60.529
Base-Backbone interact. energy: -0.046
local terms energy: -60.888103
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -12.732
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -7.725
tors. eta vs tors. theta energy: -15.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -206.360823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.360823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.360823 (E_RNA)
where:
Base-Base interactions energy: -138.004
where: short stacking energy: -63.652
Base-Backbone interact. energy: -1.402
local terms energy: -66.955222
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -18.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -199.831187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.831187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.831187 (E_RNA)
where:
Base-Base interactions energy: -129.282
where: short stacking energy: -61.853
Base-Backbone interact. energy: -0.233
local terms energy: -70.315339
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -18.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -197.514883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.514883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.514883 (E_RNA)
where:
Base-Base interactions energy: -137.854
where: short stacking energy: -59.027
Base-Backbone interact. energy: -0.283
local terms energy: -59.377773
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -9.940
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -4.509
tors. eta vs tors. theta energy: -17.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -194.600266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.600266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.600266 (E_RNA)
where:
Base-Base interactions energy: -131.607
where: short stacking energy: -54.722
Base-Backbone interact. energy: -0.195
local terms energy: -62.798450
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -9.084
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: 7, replica: 5
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -187.606720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.606720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.606720 (E_RNA)
where:
Base-Base interactions energy: -125.903
where: short stacking energy: -57.792
Base-Backbone interact. energy: -0.004
local terms energy: -61.699868
where:
bonds (distance) C4'-P energy: -9.677
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -5.721
tors. eta vs tors. theta energy: -17.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -182.183238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.183238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.183238 (E_RNA)
where:
Base-Base interactions energy: -126.782
where: short stacking energy: -56.550
Base-Backbone interact. energy: -0.005
local terms energy: -55.396167
where:
bonds (distance) C4'-P energy: -9.470
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -13.981
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: 9, replica: 6
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -77.660651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.660651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.660651 (E_RNA)
where:
Base-Base interactions energy: -30.737
where: short stacking energy: -30.737
Base-Backbone interact. energy: -0.037
local terms energy: -46.886093
where:
bonds (distance) C4'-P energy: -10.733
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -5.586
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -8.091
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: 10
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -83.072514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.072514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.072514 (E_RNA)
where:
Base-Base interactions energy: -46.220
where: short stacking energy: -24.970
Base-Backbone interact. energy: -0.338
local terms energy: -36.514251
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -10.260
flat angles C4'-P-C4' energy: -9.921
flat angles P-C4'-P energy: -3.480
tors. eta vs tors. theta energy: -1.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -215.492902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.492902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.492902 (E_RNA)
where:
Base-Base interactions energy: -143.660
where: short stacking energy: -62.534
Base-Backbone interact. energy: -0.002
local terms energy: -71.831739
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -15.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -213.292473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.292473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.292473 (E_RNA)
where:
Base-Base interactions energy: -140.965
where: short stacking energy: -66.904
Base-Backbone interact. energy: -0.012
local terms energy: -72.315013
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -17.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -206.287618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.287618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.287618 (E_RNA)
where:
Base-Base interactions energy: -137.302
where: short stacking energy: -59.870
Base-Backbone interact. energy: -0.034
local terms energy: -68.951594
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -15.320
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -18.517
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: 4
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -205.635525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.635525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.635525 (E_RNA)
where:
Base-Base interactions energy: -135.162
where: short stacking energy: -60.086
Base-Backbone interact. energy: -0.002
local terms energy: -70.471515
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -18.261
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: 8
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -188.976479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.976479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.976479 (E_RNA)
where:
Base-Base interactions energy: -126.081
where: short stacking energy: -57.615
Base-Backbone interact. energy: -0.081
local terms energy: -62.814523
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -10.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -196.007428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.007428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.007428 (E_RNA)
where:
Base-Base interactions energy: -129.565
where: short stacking energy: -60.337
Base-Backbone interact. energy: -0.059
local terms energy: -66.383597
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -5.393
tors. eta vs tors. theta energy: -19.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -190.672418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.672418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.672418 (E_RNA)
where:
Base-Base interactions energy: -132.948
where: short stacking energy: -50.160
Base-Backbone interact. energy: 1.187
local terms energy: -58.911445
where:
bonds (distance) C4'-P energy: -7.653
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -11.564
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: 8, replica: 2
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -187.339687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.339687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.339687 (E_RNA)
where:
Base-Base interactions energy: -132.869
where: short stacking energy: -54.729
Base-Backbone interact. energy: -0.005
local terms energy: -54.465936
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -6.527
flat angles C4'-P-C4' energy: -11.561
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -16.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -71.808029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.808029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.808029 (E_RNA)
where:
Base-Base interactions energy: -30.211
where: short stacking energy: -23.128
Base-Backbone interact. energy: -0.003
local terms energy: -41.593923
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -5.740
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -2.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -65.009589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.009589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.009589 (E_RNA)
where:
Base-Base interactions energy: -20.320
where: short stacking energy: -13.267
Base-Backbone interact. energy: -0.311
local terms energy: -44.378907
where:
bonds (distance) C4'-P energy: -9.259
bonds (distance) P-C4' energy: -10.735
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -9.568
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: 7
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -215.058586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.058586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.058586 (E_RNA)
where:
Base-Base interactions energy: -146.222
where: short stacking energy: -68.938
Base-Backbone interact. energy: -0.000
local terms energy: -68.835776
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -11.262
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -19.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -210.922826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.922826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.922826 (E_RNA)
where:
Base-Base interactions energy: -140.539
where: short stacking energy: -66.532
Base-Backbone interact. energy: -0.095
local terms energy: -70.288923
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -19.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -200.219662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.219662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.219662 (E_RNA)
where:
Base-Base interactions energy: -143.211
where: short stacking energy: -55.774
Base-Backbone interact. energy: -0.099
local terms energy: -56.909583
where:
bonds (distance) C4'-P energy: -8.998
bonds (distance) P-C4' energy: -10.157
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -15.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -202.581410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.581410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.581410 (E_RNA)
where:
Base-Base interactions energy: -139.857
where: short stacking energy: -57.555
Base-Backbone interact. energy: -1.311
local terms energy: -61.412909
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -11.277
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -14.091
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: 9
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -186.425155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.425155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.425155 (E_RNA)
where:
Base-Base interactions energy: -130.612
where: short stacking energy: -54.308
Base-Backbone interact. energy: -0.085
local terms energy: -55.728772
where:
bonds (distance) C4'-P energy: -10.536
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -9.252
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -12.876
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: 8
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -187.478373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.478373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.478373 (E_RNA)
where:
Base-Base interactions energy: -126.643
where: short stacking energy: -57.983
Base-Backbone interact. energy: -0.019
local terms energy: -60.816788
where:
bonds (distance) C4'-P energy: -8.708
bonds (distance) P-C4' energy: -13.109
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: -16.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -181.000417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.000417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.000417 (E_RNA)
where:
Base-Base interactions energy: -128.118
where: short stacking energy: -53.947
Base-Backbone interact. energy: -0.078
local terms energy: -52.805066
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -8.557
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -9.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -182.886827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.886827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.886827 (E_RNA)
where:
Base-Base interactions energy: -128.235
where: short stacking energy: -56.773
Base-Backbone interact. energy: -0.374
local terms energy: -54.277642
where:
bonds (distance) C4'-P energy: -8.653
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -4.049
tors. eta vs tors. theta energy: -14.439
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: 10
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -73.602212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.602212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.602212 (E_RNA)
where:
Base-Base interactions energy: -37.180
where: short stacking energy: -21.744
Base-Backbone interact. energy: -0.048
local terms energy: -36.375043
where:
bonds (distance) C4'-P energy: -8.819
bonds (distance) P-C4' energy: -12.151
flat angles C4'-P-C4' energy: -10.093
flat angles P-C4'-P energy: -3.958
tors. eta vs tors. theta energy: -1.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -73.437063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.437063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.437063 (E_RNA)
where:
Base-Base interactions energy: -25.347
where: short stacking energy: -25.347
Base-Backbone interact. energy: -0.043
local terms energy: -48.046447
where:
bonds (distance) C4'-P energy: -8.882
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -1.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -208.308075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.308075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.308075 (E_RNA)
where:
Base-Base interactions energy: -134.281
where: short stacking energy: -63.989
Base-Backbone interact. energy: -0.419
local terms energy: -73.607851
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -19.250
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: 375
Temperature: 0.950000
Total energy: -204.562711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.562711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.562711 (E_RNA)
where:
Base-Base interactions energy: -140.954
where: short stacking energy: -56.981
Base-Backbone interact. energy: -0.099
local terms energy: -63.509468
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -9.485
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -15.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -205.226900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.226900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.226900 (E_RNA)
where:
Base-Base interactions energy: -139.298
where: short stacking energy: -64.327
Base-Backbone interact. energy: -0.482
local terms energy: -65.446580
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -17.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -196.404861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.404861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.404861 (E_RNA)
where:
Base-Base interactions energy: -138.185
where: short stacking energy: -62.092
Base-Backbone interact. energy: -0.003
local terms energy: -58.216217
where:
bonds (distance) C4'-P energy: -9.963
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -11.157
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -14.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -199.078597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.078597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.078597 (E_RNA)
where:
Base-Base interactions energy: -142.647
where: short stacking energy: -67.293
Base-Backbone interact. energy: -0.003
local terms energy: -56.428909
where:
bonds (distance) C4'-P energy: -9.578
bonds (distance) P-C4' energy: -10.363
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -16.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -193.920898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.920898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.920898 (E_RNA)
where:
Base-Base interactions energy: -131.693
where: short stacking energy: -60.512
Base-Backbone interact. energy: -0.589
local terms energy: -61.638142
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -6.614
tors. eta vs tors. theta energy: -16.425
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: 8
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -185.366931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.366931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.366931 (E_RNA)
where:
Base-Base interactions energy: -128.600
where: short stacking energy: -54.312
Base-Backbone interact. energy: -0.157
local terms energy: -56.609839
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -10.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -190.561390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.561390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.561390 (E_RNA)
where:
Base-Base interactions energy: -126.344
where: short stacking energy: -50.577
Base-Backbone interact. energy: -0.007
local terms energy: -64.210425
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -10.466
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -17.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -74.150103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.150103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.150103 (E_RNA)
where:
Base-Base interactions energy: -29.688
where: short stacking energy: -29.688
Base-Backbone interact. energy: -0.073
local terms energy: -44.388610
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -8.927
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -2.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -69.264873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.264873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.264873 (E_RNA)
where:
Base-Base interactions energy: -31.275
where: short stacking energy: -27.741
Base-Backbone interact. energy: 0.002
local terms energy: -37.991471
where:
bonds (distance) C4'-P energy: -6.882
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -9.446
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -0.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -206.252646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.252646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.252646 (E_RNA)
where:
Base-Base interactions energy: -137.299
where: short stacking energy: -57.986
Base-Backbone interact. energy: -0.318
local terms energy: -68.635513
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -16.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -209.958230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.958230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.958230 (E_RNA)
where:
Base-Base interactions energy: -138.269
where: short stacking energy: -63.449
Base-Backbone interact. energy: -0.471
local terms energy: -71.218458
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -10.098
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: 3, replica: 9
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -216.342840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.342840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.342840 (E_RNA)
where:
Base-Base interactions energy: -142.347
where: short stacking energy: -65.813
Base-Backbone interact. energy: -0.163
local terms energy: -73.833048
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -13.512
tors. eta vs tors. theta energy: -18.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -196.936662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.936662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.936662 (E_RNA)
where:
Base-Base interactions energy: -135.842
where: short stacking energy: -55.345
Base-Backbone interact. energy: -0.602
local terms energy: -60.492285
where:
bonds (distance) C4'-P energy: -9.055
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -15.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -209.053219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.053219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.053219 (E_RNA)
where:
Base-Base interactions energy: -141.160
where: short stacking energy: -68.476
Base-Backbone interact. energy: 2.202
local terms energy: -70.095127
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -19.231
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: 376
Temperature: 1.150000
Total energy: -191.590808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.590808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.590808 (E_RNA)
where:
Base-Base interactions energy: -129.088
where: short stacking energy: -59.316
Base-Backbone interact. energy: 0.678
local terms energy: -63.181252
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -7.119
tors. eta vs tors. theta energy: -16.425
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: 5
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -178.815232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.815232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.815232 (E_RNA)
where:
Base-Base interactions energy: -124.132
where: short stacking energy: -53.021
Base-Backbone interact. energy: -0.063
local terms energy: -54.620663
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -11.358
flat angles C4'-P-C4' energy: -11.380
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -13.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -191.208424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.208424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.208424 (E_RNA)
where:
Base-Base interactions energy: -135.373
where: short stacking energy: -67.423
Base-Backbone interact. energy: -0.063
local terms energy: -55.772752
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -9.282
flat angles C4'-P-C4' energy: -9.640
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -14.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -69.164104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.164104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.164104 (E_RNA)
where:
Base-Base interactions energy: -26.024
where: short stacking energy: -25.375
Base-Backbone interact. energy: -0.036
local terms energy: -43.103631
where:
bonds (distance) C4'-P energy: -9.439
bonds (distance) P-C4' energy: -10.617
flat angles C4'-P-C4' energy: -11.282
flat angles P-C4'-P energy: -4.943
tors. eta vs tors. theta energy: -6.822
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: 10, replica: 10
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -111.253420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.253420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.253420 (E_RNA)
where:
Base-Base interactions energy: -67.174
where: short stacking energy: -40.899
Base-Backbone interact. energy: -0.613
local terms energy: -43.466224
where:
bonds (distance) C4'-P energy: -5.517
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -5.859
tors. eta vs tors. theta energy: -6.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -214.120702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.120702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.120702 (E_RNA)
where:
Base-Base interactions energy: -144.925
where: short stacking energy: -68.983
Base-Backbone interact. energy: -0.749
local terms energy: -68.446607
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -18.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -206.272909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.272909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.272909 (E_RNA)
where:
Base-Base interactions energy: -141.293
where: short stacking energy: -67.522
Base-Backbone interact. energy: -0.360
local terms energy: -64.619837
where:
bonds (distance) C4'-P energy: -9.125
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -16.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -211.139541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.139541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.139541 (E_RNA)
where:
Base-Base interactions energy: -139.625
where: short stacking energy: -64.692
Base-Backbone interact. energy: -0.806
local terms energy: -70.707924
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -19.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -209.162305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.162305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.162305 (E_RNA)
where:
Base-Base interactions energy: -139.251
where: short stacking energy: -65.553
Base-Backbone interact. energy: -0.021
local terms energy: -69.890756
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -19.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -192.217922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.217922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.217922 (E_RNA)
where:
Base-Base interactions energy: -132.122
where: short stacking energy: -54.277
Base-Backbone interact. energy: -0.482
local terms energy: -59.613989
where:
bonds (distance) C4'-P energy: -9.727
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -13.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -197.535687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.535687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.535687 (E_RNA)
where:
Base-Base interactions energy: -132.257
where: short stacking energy: -61.681
Base-Backbone interact. energy: -0.577
local terms energy: -64.701370
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -11.895
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -17.166
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: 5
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -163.749766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.749766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.749766 (E_RNA)
where:
Base-Base interactions energy: -110.241
where: short stacking energy: -56.157
Base-Backbone interact. energy: -0.015
local terms energy: -53.493570
where:
bonds (distance) C4'-P energy: -11.741
bonds (distance) P-C4' energy: -9.757
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -6.801
tors. eta vs tors. theta energy: -12.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -186.866346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.866346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.866346 (E_RNA)
where:
Base-Base interactions energy: -127.999
where: short stacking energy: -55.313
Base-Backbone interact. energy: -0.072
local terms energy: -58.795240
where:
bonds (distance) C4'-P energy: -7.951
bonds (distance) P-C4' energy: -11.575
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -14.033
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: 6
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -75.804686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.804686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.804686 (E_RNA)
where:
Base-Base interactions energy: -36.033
where: short stacking energy: -33.607
Base-Backbone interact. energy: -0.621
local terms energy: -39.151640
where:
bonds (distance) C4'-P energy: -7.524
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -9.026
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -1.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -119.309009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.309009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.309009 (E_RNA)
where:
Base-Base interactions energy: -81.378
where: short stacking energy: -39.253
Base-Backbone interact. energy: -0.104
local terms energy: -37.827775
where:
bonds (distance) C4'-P energy: -6.928
bonds (distance) P-C4' energy: -11.584
flat angles C4'-P-C4' energy: -10.189
flat angles P-C4'-P energy: -2.444
tors. eta vs tors. theta energy: -6.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -204.899578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.899578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.899578 (E_RNA)
where:
Base-Base interactions energy: -139.807
where: short stacking energy: -64.152
Base-Backbone interact. energy: -0.240
local terms energy: -64.852776
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -10.935
flat angles P-C4'-P energy: -12.289
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: 2, replica: 4
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -209.729322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.729322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.729322 (E_RNA)
where:
Base-Base interactions energy: -146.458
where: short stacking energy: -59.234
Base-Backbone interact. energy: -0.005
local terms energy: -63.266768
where:
bonds (distance) C4'-P energy: -9.321
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -17.492
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: 2
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -203.952182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.952182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.952182 (E_RNA)
where:
Base-Base interactions energy: -139.002
where: short stacking energy: -63.114
Base-Backbone interact. energy: -0.067
local terms energy: -64.883031
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -16.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -203.175555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.175555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.175555 (E_RNA)
where:
Base-Base interactions energy: -140.426
where: short stacking energy: -67.507
Base-Backbone interact. energy: -0.000
local terms energy: -62.749763
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -13.195
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -18.723
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: 5, replica: 3
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -197.923163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.923163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.923163 (E_RNA)
where:
Base-Base interactions energy: -135.956
where: short stacking energy: -63.404
Base-Backbone interact. energy: -0.126
local terms energy: -61.841186
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -9.176
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -7.868
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: 1
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -190.532949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.532949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.532949 (E_RNA)
where:
Base-Base interactions energy: -131.183
where: short stacking energy: -57.328
Base-Backbone interact. energy: -0.159
local terms energy: -59.191036
where:
bonds (distance) C4'-P energy: -9.254
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -6.963
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: 7, replica: 8
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -191.300254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.300254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.300254 (E_RNA)
where:
Base-Base interactions energy: -128.652
where: short stacking energy: -56.853
Base-Backbone interact. energy: -0.635
local terms energy: -62.013399
where:
bonds (distance) C4'-P energy: -8.137
bonds (distance) P-C4' energy: -14.126
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -16.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -179.062696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.062696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.062696 (E_RNA)
where:
Base-Base interactions energy: -125.785
where: short stacking energy: -52.918
Base-Backbone interact. energy: 0.937
local terms energy: -54.214885
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -11.364
flat angles C4'-P-C4' energy: -8.127
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -15.171
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: 6
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -86.974025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.974025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.974025 (E_RNA)
where:
Base-Base interactions energy: -47.301
where: short stacking energy: -36.379
Base-Backbone interact. energy: 0.308
local terms energy: -39.981050
where:
bonds (distance) C4'-P energy: -7.814
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -5.462
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -5.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -67.896755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.896755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.896755 (E_RNA)
where:
Base-Base interactions energy: -36.723
where: short stacking energy: -23.441
Base-Backbone interact. energy: -0.015
local terms energy: -31.159538
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -6.271
flat angles P-C4'-P energy: -2.553
tors. eta vs tors. theta energy: 1.868
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: 379
Temperature: 0.900000
Total energy: -212.418241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.418241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.418241 (E_RNA)
where:
Base-Base interactions energy: -138.826
where: short stacking energy: -65.779
Base-Backbone interact. energy: -0.141
local terms energy: -73.450728
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -12.732
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: -20.567
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: 379
Temperature: 0.950000
Total energy: -208.230289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.230289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.230289 (E_RNA)
where:
Base-Base interactions energy: -144.418
where: short stacking energy: -64.766
Base-Backbone interact. energy: -0.397
local terms energy: -63.415326
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -15.480
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: 3, replica: 2
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -209.053275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.053275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.053275 (E_RNA)
where:
Base-Base interactions energy: -142.864
where: short stacking energy: -68.192
Base-Backbone interact. energy: -0.058
local terms energy: -66.131256
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -16.780
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: 3
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -209.052638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.052638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.052638 (E_RNA)
where:
Base-Base interactions energy: -140.788
where: short stacking energy: -56.807
Base-Backbone interact. energy: -0.005
local terms energy: -68.259457
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -15.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -191.267847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.267847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.267847 (E_RNA)
where:
Base-Base interactions energy: -125.639
where: short stacking energy: -61.619
Base-Backbone interact. energy: -0.125
local terms energy: -65.503413
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -17.735
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: 1
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -194.982942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.982942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.982942 (E_RNA)
where:
Base-Base interactions energy: -131.058
where: short stacking energy: -58.898
Base-Backbone interact. energy: -0.020
local terms energy: -63.905090
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -17.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -180.587375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.587375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.587375 (E_RNA)
where:
Base-Base interactions energy: -119.457
where: short stacking energy: -48.459
Base-Backbone interact. energy: -0.328
local terms energy: -60.802095
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -11.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -173.001927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.001927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.001927 (E_RNA)
where:
Base-Base interactions energy: -124.319
where: short stacking energy: -52.033
Base-Backbone interact. energy: -0.016
local terms energy: -48.667221
where:
bonds (distance) C4'-P energy: -8.572
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -6.007
tors. eta vs tors. theta energy: -8.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -76.206545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.206545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.206545 (E_RNA)
where:
Base-Base interactions energy: -29.049
where: short stacking energy: -25.452
Base-Backbone interact. energy: 0.704
local terms energy: -47.861156
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -9.396
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -5.820
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: 10
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -67.675931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.675931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.675931 (E_RNA)
where:
Base-Base interactions energy: -28.591
where: short stacking energy: -21.529
Base-Backbone interact. energy: -0.073
local terms energy: -39.012499
where:
bonds (distance) C4'-P energy: -7.307
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -11.366
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: 3.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -212.486762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.486762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.486762 (E_RNA)
where:
Base-Base interactions energy: -144.522
where: short stacking energy: -68.855
Base-Backbone interact. energy: -1.316
local terms energy: -66.648741
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -17.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -211.580753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.580753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.580753 (E_RNA)
where:
Base-Base interactions energy: -143.112
where: short stacking energy: -63.599
Base-Backbone interact. energy: -0.000
local terms energy: -68.468897
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -17.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -202.311983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.311983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.311983 (E_RNA)
where:
Base-Base interactions energy: -132.066
where: short stacking energy: -60.567
Base-Backbone interact. energy: -0.263
local terms energy: -69.983611
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -10.646
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: 4, replica: 3
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -200.112896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.112896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.112896 (E_RNA)
where:
Base-Base interactions energy: -140.428
where: short stacking energy: -63.431
Base-Backbone interact. energy: -0.001
local terms energy: -59.684082
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -7.077
flat angles C4'-P-C4' energy: -10.627
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -15.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -193.300554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.300554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.300554 (E_RNA)
where:
Base-Base interactions energy: -130.476
where: short stacking energy: -59.024
Base-Backbone interact. energy: 0.719
local terms energy: -63.542822
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: -13.995
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: 9
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -192.526077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.526077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.526077 (E_RNA)
where:
Base-Base interactions energy: -130.852
where: short stacking energy: -54.164
Base-Backbone interact. energy: -0.412
local terms energy: -61.262422
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -9.544
flat angles C4'-P-C4' energy: -11.410
flat angles P-C4'-P energy: -9.742
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: 7, replica: 5
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -190.878808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.878808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.878808 (E_RNA)
where:
Base-Base interactions energy: -129.037
where: short stacking energy: -53.095
Base-Backbone interact. energy: -0.049
local terms energy: -61.792421
where:
bonds (distance) C4'-P energy: -8.976
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -17.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -180.777699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.777699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.777699 (E_RNA)
where:
Base-Base interactions energy: -123.775
where: short stacking energy: -56.578
Base-Backbone interact. energy: -1.036
local terms energy: -55.966635
where:
bonds (distance) C4'-P energy: -6.990
bonds (distance) P-C4' energy: -11.317
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -14.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -73.563531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.563531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.563531 (E_RNA)
where:
Base-Base interactions energy: -32.737
where: short stacking energy: -30.046
Base-Backbone interact. energy: -0.510
local terms energy: -40.317148
where:
bonds (distance) C4'-P energy: -8.927
bonds (distance) P-C4' energy: -9.297
flat angles C4'-P-C4' energy: -11.157
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -0.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -85.319519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.319519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.319519 (E_RNA)
where:
Base-Base interactions energy: -51.392
where: short stacking energy: -24.250
Base-Backbone interact. energy: 0.548
local terms energy: -34.475598
where:
bonds (distance) C4'-P energy: -5.574
bonds (distance) P-C4' energy: -7.968
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -0.734
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: 381
Temperature: 0.900000
Total energy: -208.973275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.973275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.973275 (E_RNA)
where:
Base-Base interactions energy: -147.645
where: short stacking energy: -64.072
Base-Backbone interact. energy: -0.457
local terms energy: -60.870778
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -13.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -209.760740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.760740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.760740 (E_RNA)
where:
Base-Base interactions energy: -142.508
where: short stacking energy: -61.244
Base-Backbone interact. energy: -0.002
local terms energy: -67.250721
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -9.868
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -19.548
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: 381
Temperature: 1.000000
Total energy: -206.022920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.022920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.022920 (E_RNA)
where:
Base-Base interactions energy: -138.161
where: short stacking energy: -66.600
Base-Backbone interact. energy: -0.042
local terms energy: -67.819988
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -16.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -192.129053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.129053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.129053 (E_RNA)
where:
Base-Base interactions energy: -126.054
where: short stacking energy: -58.155
Base-Backbone interact. energy: -0.001
local terms energy: -66.074098
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -10.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -192.061299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.061299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.061299 (E_RNA)
where:
Base-Base interactions energy: -134.986
where: short stacking energy: -56.451
Base-Backbone interact. energy: -0.022
local terms energy: -57.053939
where:
bonds (distance) C4'-P energy: -8.915
bonds (distance) P-C4' energy: -9.005
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -16.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -186.665583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.665583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.665583 (E_RNA)
where:
Base-Base interactions energy: -124.869
where: short stacking energy: -56.627
Base-Backbone interact. energy: -0.056
local terms energy: -61.741112
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -10.968
flat angles C4'-P-C4' energy: -11.671
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -13.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -193.042665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.042665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.042665 (E_RNA)
where:
Base-Base interactions energy: -132.531
where: short stacking energy: -63.993
Base-Backbone interact. energy: -0.013
local terms energy: -60.498649
where:
bonds (distance) C4'-P energy: -7.122
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -8.656
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: 8, replica: 8
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -190.521583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.521583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.521583 (E_RNA)
where:
Base-Base interactions energy: -128.089
where: short stacking energy: -55.326
Base-Backbone interact. energy: 0.783
local terms energy: -63.216302
where:
bonds (distance) C4'-P energy: -10.104
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -15.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -71.230053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.230053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.230053 (E_RNA)
where:
Base-Base interactions energy: -35.502
where: short stacking energy: -28.795
Base-Backbone interact. energy: -0.112
local terms energy: -35.616328
where:
bonds (distance) C4'-P energy: -8.423
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -3.711
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: 10, replica: 10
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -69.840914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.840914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.840914 (E_RNA)
where:
Base-Base interactions energy: -30.846
where: short stacking energy: -19.320
Base-Backbone interact. energy: -0.213
local terms energy: -38.782703
where:
bonds (distance) C4'-P energy: -7.177
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: 0.941
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: 2
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -213.320573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.320573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.320573 (E_RNA)
where:
Base-Base interactions energy: -139.653
where: short stacking energy: -63.499
Base-Backbone interact. energy: -0.008
local terms energy: -73.658921
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -18.810
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: 4
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -206.234549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.234549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.234549 (E_RNA)
where:
Base-Base interactions energy: -146.099
where: short stacking energy: -57.367
Base-Backbone interact. energy: -0.005
local terms energy: -60.131144
where:
bonds (distance) C4'-P energy: -9.887
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -12.732
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -14.038
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: 7
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -196.717251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.717251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.717251 (E_RNA)
where:
Base-Base interactions energy: -134.479
where: short stacking energy: -60.233
Base-Backbone interact. energy: -0.002
local terms energy: -62.236468
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -5.412
tors. eta vs tors. theta energy: -17.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -199.170705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.170705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.170705 (E_RNA)
where:
Base-Base interactions energy: -137.709
where: short stacking energy: -57.906
Base-Backbone interact. energy: -0.310
local terms energy: -61.151458
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -12.095
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: 3
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -204.137107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.137107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.137107 (E_RNA)
where:
Base-Base interactions energy: -136.242
where: short stacking energy: -67.981
Base-Backbone interact. energy: 0.702
local terms energy: -68.597009
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -11.634
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -17.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -177.815585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.815585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.815585 (E_RNA)
where:
Base-Base interactions energy: -119.199
where: short stacking energy: -46.045
Base-Backbone interact. energy: -0.163
local terms energy: -58.453771
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -10.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -186.392973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.392973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.392973 (E_RNA)
where:
Base-Base interactions energy: -125.237
where: short stacking energy: -58.650
Base-Backbone interact. energy: -0.003
local terms energy: -61.152877
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: -14.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -174.566091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.566091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.566091 (E_RNA)
where:
Base-Base interactions energy: -121.369
where: short stacking energy: -50.959
Base-Backbone interact. energy: -0.363
local terms energy: -52.833689
where:
bonds (distance) C4'-P energy: -7.112
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -6.010
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: 10
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -78.281105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.281105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.281105 (E_RNA)
where:
Base-Base interactions energy: -36.789
where: short stacking energy: -36.789
Base-Backbone interact. energy: -0.227
local terms energy: -41.265407
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -5.466
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -2.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -75.454483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.454483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.454483 (E_RNA)
where:
Base-Base interactions energy: -27.246
where: short stacking energy: -27.246
Base-Backbone interact. energy: -0.134
local terms energy: -48.073615
where:
bonds (distance) C4'-P energy: -9.788
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -7.996
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -7.637
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: 1, replica: 2
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -210.530630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.530630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.530630 (E_RNA)
where:
Base-Base interactions energy: -142.530
where: short stacking energy: -66.313
Base-Backbone interact. energy: -0.455
local terms energy: -67.545880
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -17.788
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: 2, replica: 7
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -212.661178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.661178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.661178 (E_RNA)
where:
Base-Base interactions energy: -144.473
where: short stacking energy: -64.911
Base-Backbone interact. energy: -0.126
local terms energy: -68.062335
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -10.830
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -18.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -199.158610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.158610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.158610 (E_RNA)
where:
Base-Base interactions energy: -135.933
where: short stacking energy: -55.766
Base-Backbone interact. energy: -0.120
local terms energy: -63.104960
where:
bonds (distance) C4'-P energy: -8.965
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -9.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -203.584989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.584989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.584989 (E_RNA)
where:
Base-Base interactions energy: -139.070
where: short stacking energy: -65.302
Base-Backbone interact. energy: 1.178
local terms energy: -65.693258
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -16.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -201.768057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.768057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.768057 (E_RNA)
where:
Base-Base interactions energy: -136.851
where: short stacking energy: -58.172
Base-Backbone interact. energy: 0.534
local terms energy: -65.451206
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -14.200
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -15.773
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: 5
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -191.276423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.276423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.276423 (E_RNA)
where:
Base-Base interactions energy: -132.402
where: short stacking energy: -58.668
Base-Backbone interact. energy: -0.239
local terms energy: -58.635282
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -11.272
flat angles C4'-P-C4' energy: -10.276
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -14.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -188.117143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.117143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.117143 (E_RNA)
where:
Base-Base interactions energy: -124.346
where: short stacking energy: -58.786
Base-Backbone interact. energy: -0.002
local terms energy: -63.769281
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -15.375
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: 10
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -89.044719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.044719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.044719 (E_RNA)
where:
Base-Base interactions energy: -47.555
where: short stacking energy: -35.347
Base-Backbone interact. energy: -0.798
local terms energy: -40.691014
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -10.878
flat angles C4'-P-C4' energy: -4.918
flat angles P-C4'-P energy: -5.154
tors. eta vs tors. theta energy: -7.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -176.212501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.212501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.212501 (E_RNA)
where:
Base-Base interactions energy: -125.004
where: short stacking energy: -54.840
Base-Backbone interact. energy: -0.619
local terms energy: -50.589287
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -6.744
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -14.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -67.315243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.315243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.315243 (E_RNA)
where:
Base-Base interactions energy: -22.916
where: short stacking energy: -22.208
Base-Backbone interact. energy: -0.192
local terms energy: -44.207365
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -5.687
tors. eta vs tors. theta energy: -3.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -218.398167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.398167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.398167 (E_RNA)
where:
Base-Base interactions energy: -149.369
where: short stacking energy: -67.253
Base-Backbone interact. energy: -0.288
local terms energy: -68.741275
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -15.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -210.112676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.112676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.112676 (E_RNA)
where:
Base-Base interactions energy: -144.243
where: short stacking energy: -64.439
Base-Backbone interact. energy: -0.240
local terms energy: -65.629120
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -7.969
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: 3, replica: 4
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -205.319107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.319107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.319107 (E_RNA)
where:
Base-Base interactions energy: -141.443
where: short stacking energy: -54.424
Base-Backbone interact. energy: -0.070
local terms energy: -63.805489
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -11.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -198.341075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.341075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.341075 (E_RNA)
where:
Base-Base interactions energy: -138.038
where: short stacking energy: -59.465
Base-Backbone interact. energy: -0.838
local terms energy: -59.464845
where:
bonds (distance) C4'-P energy: -8.542
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -11.819
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: 5
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -202.495754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.495754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.495754 (E_RNA)
where:
Base-Base interactions energy: -136.575
where: short stacking energy: -57.523
Base-Backbone interact. energy: -0.891
local terms energy: -65.030676
where:
bonds (distance) C4'-P energy: -7.367
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -17.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -196.455650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.455650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.455650 (E_RNA)
where:
Base-Base interactions energy: -138.504
where: short stacking energy: -57.674
Base-Backbone interact. energy: -0.167
local terms energy: -57.784653
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -9.088
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -6.816
tors. eta vs tors. theta energy: -15.189
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: 8
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -194.327660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.327660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.327660 (E_RNA)
where:
Base-Base interactions energy: -135.827
where: short stacking energy: -65.221
Base-Backbone interact. energy: 0.479
local terms energy: -58.979340
where:
bonds (distance) C4'-P energy: -10.293
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -14.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -88.231931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.231931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.231931 (E_RNA)
where:
Base-Base interactions energy: -43.857
where: short stacking energy: -38.313
Base-Backbone interact. energy: -0.699
local terms energy: -43.676619
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -7.024
flat angles P-C4'-P energy: -6.207
tors. eta vs tors. theta energy: -6.135
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: 9
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -176.415934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.415934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.415934 (E_RNA)
where:
Base-Base interactions energy: -130.987
where: short stacking energy: -56.776
Base-Backbone interact. energy: -0.299
local terms energy: -45.129269
where:
bonds (distance) C4'-P energy: -8.663
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -1.952
tors. eta vs tors. theta energy: -11.208
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: 6
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -79.310264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.310264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.310264 (E_RNA)
where:
Base-Base interactions energy: -33.191
where: short stacking energy: -20.068
Base-Backbone interact. energy: -0.253
local terms energy: -45.865786
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -5.278
tors. eta vs tors. theta energy: -0.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -215.015174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.015174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.015174 (E_RNA)
where:
Base-Base interactions energy: -139.349
where: short stacking energy: -66.768
Base-Backbone interact. energy: -0.044
local terms energy: -75.622968
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -13.269
tors. eta vs tors. theta energy: -17.658
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: 4
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -212.686237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.686237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.686237 (E_RNA)
where:
Base-Base interactions energy: -147.156
where: short stacking energy: -69.045
Base-Backbone interact. energy: -0.434
local terms energy: -65.096247
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -9.601
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -18.492
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: 7
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -206.810930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.810930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.810930 (E_RNA)
where:
Base-Base interactions energy: -142.801
where: short stacking energy: -62.064
Base-Backbone interact. energy: -0.066
local terms energy: -63.944207
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -10.654
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -16.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -206.189394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.189394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.189394 (E_RNA)
where:
Base-Base interactions energy: -141.851
where: short stacking energy: -63.962
Base-Backbone interact. energy: -0.006
local terms energy: -64.333216
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -11.293
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -18.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -198.686639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.686639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.686639 (E_RNA)
where:
Base-Base interactions energy: -134.939
where: short stacking energy: -55.258
Base-Backbone interact. energy: -0.329
local terms energy: -63.419215
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -10.783
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -13.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -202.078784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.078784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.078784 (E_RNA)
where:
Base-Base interactions energy: -133.105
where: short stacking energy: -61.942
Base-Backbone interact. energy: -0.352
local terms energy: -68.621967
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -17.745
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: 7, replica: 8
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -173.384830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.384830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.384830 (E_RNA)
where:
Base-Base interactions energy: -118.390
where: short stacking energy: -53.252
Base-Backbone interact. energy: -0.016
local terms energy: -54.979006
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -9.454
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -12.236
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: 9
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -186.463163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.463163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.463163 (E_RNA)
where:
Base-Base interactions energy: -124.891
where: short stacking energy: -51.873
Base-Backbone interact. energy: 0.427
local terms energy: -61.998830
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -12.188
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: 10
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -69.362715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.362715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.362715 (E_RNA)
where:
Base-Base interactions energy: -32.362
where: short stacking energy: -32.362
Base-Backbone interact. energy: -0.309
local terms energy: -36.691841
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -7.681
flat angles C4'-P-C4' energy: -6.810
flat angles P-C4'-P energy: -5.013
tors. eta vs tors. theta energy: -4.787
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: 6
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -68.949736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.949736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.949736 (E_RNA)
where:
Base-Base interactions energy: -27.784
where: short stacking energy: -24.029
Base-Backbone interact. energy: -0.096
local terms energy: -41.070368
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -11.782
flat angles C4'-P-C4' energy: -10.986
flat angles P-C4'-P energy: -3.857
tors. eta vs tors. theta energy: -1.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -213.007353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.007353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.007353 (E_RNA)
where:
Base-Base interactions energy: -143.302
where: short stacking energy: -67.116
Base-Backbone interact. energy: -0.156
local terms energy: -69.549666
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -17.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -210.557746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.557746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.557746 (E_RNA)
where:
Base-Base interactions energy: -144.808
where: short stacking energy: -71.319
Base-Backbone interact. energy: -0.000
local terms energy: -65.749303
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -11.906
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -16.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -201.774479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.774479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.774479 (E_RNA)
where:
Base-Base interactions energy: -134.329
where: short stacking energy: -47.763
Base-Backbone interact. energy: -0.012
local terms energy: -67.434059
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -14.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -205.656518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.656518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.656518 (E_RNA)
where:
Base-Base interactions energy: -144.529
where: short stacking energy: -61.687
Base-Backbone interact. energy: -0.575
local terms energy: -60.552025
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -9.036
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -16.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -196.772320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.772320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.772320 (E_RNA)
where:
Base-Base interactions energy: -133.767
where: short stacking energy: -50.121
Base-Backbone interact. energy: -0.403
local terms energy: -62.602582
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -13.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -192.289230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.289230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.289230 (E_RNA)
where:
Base-Base interactions energy: -129.900
where: short stacking energy: -51.763
Base-Backbone interact. energy: -0.705
local terms energy: -61.684179
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: -13.267
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: 7, replica: 9
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -193.751823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.751823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.751823 (E_RNA)
where:
Base-Base interactions energy: -135.192
where: short stacking energy: -61.994
Base-Backbone interact. energy: -0.579
local terms energy: -57.980786
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -10.255
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -6.183
tors. eta vs tors. theta energy: -15.669
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: 386
Temperature: 1.250000
Total energy: -178.920023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.920023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.920023 (E_RNA)
where:
Base-Base interactions energy: -124.269
where: short stacking energy: -55.694
Base-Backbone interact. energy: -0.291
local terms energy: -54.360109
where:
bonds (distance) C4'-P energy: -9.482
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -8.801
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -11.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -79.007251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.007251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.007251 (E_RNA)
where:
Base-Base interactions energy: -41.931
where: short stacking energy: -16.408
Base-Backbone interact. energy: -0.145
local terms energy: -36.930998
where:
bonds (distance) C4'-P energy: -7.706
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -2.894
tors. eta vs tors. theta energy: 0.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -67.944307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.944307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.944307 (E_RNA)
where:
Base-Base interactions energy: -30.137
where: short stacking energy: -17.393
Base-Backbone interact. energy: -0.178
local terms energy: -37.629314
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -10.209
flat angles P-C4'-P energy: -2.231
tors. eta vs tors. theta energy: -1.368
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: 4
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -213.924412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.924412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.924412 (E_RNA)
where:
Base-Base interactions energy: -144.231
where: short stacking energy: -68.257
Base-Backbone interact. energy: -0.000
local terms energy: -69.693528
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -10.143
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: 2, replica: 5
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -202.097281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.097281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.097281 (E_RNA)
where:
Base-Base interactions energy: -139.012
where: short stacking energy: -66.829
Base-Backbone interact. energy: 0.569
local terms energy: -63.653899
where:
bonds (distance) C4'-P energy: -6.184
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -12.198
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: 3, replica: 2
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -207.465683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.465683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.465683 (E_RNA)
where:
Base-Base interactions energy: -138.239
where: short stacking energy: -65.270
Base-Backbone interact. energy: -1.849
local terms energy: -67.378137
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -17.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -203.870320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.870320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.870320 (E_RNA)
where:
Base-Base interactions energy: -136.926
where: short stacking energy: -61.467
Base-Backbone interact. energy: -0.072
local terms energy: -66.872567
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -16.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -198.595587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.595587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.595587 (E_RNA)
where:
Base-Base interactions energy: -133.129
where: short stacking energy: -60.197
Base-Backbone interact. energy: -0.029
local terms energy: -65.437577
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -16.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -194.816045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.816045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.816045 (E_RNA)
where:
Base-Base interactions energy: -129.265
where: short stacking energy: -65.091
Base-Backbone interact. energy: -0.010
local terms energy: -65.541385
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -17.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -184.872674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.872674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.872674 (E_RNA)
where:
Base-Base interactions energy: -125.947
where: short stacking energy: -46.614
Base-Backbone interact. energy: -1.060
local terms energy: -57.864748
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -11.445
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -10.228
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: 8, replica: 10
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -73.633035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.633035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.633035 (E_RNA)
where:
Base-Base interactions energy: -23.523
where: short stacking energy: -22.610
Base-Backbone interact. energy: -1.097
local terms energy: -49.013892
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -0.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -186.205773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.205773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.205773 (E_RNA)
where:
Base-Base interactions energy: -126.280
where: short stacking energy: -51.708
Base-Backbone interact. energy: -0.666
local terms energy: -59.259132
where:
bonds (distance) C4'-P energy: -9.561
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -13.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -63.493803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.493803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.493803 (E_RNA)
where:
Base-Base interactions energy: -22.196
where: short stacking energy: -21.436
Base-Backbone interact. energy: 0.748
local terms energy: -42.045991
where:
bonds (distance) C4'-P energy: -9.920
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -7.185
flat angles P-C4'-P energy: -8.209
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: 1, replica: 5
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -213.878142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.878142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.878142 (E_RNA)
where:
Base-Base interactions energy: -149.271
where: short stacking energy: -67.937
Base-Backbone interact. energy: -0.289
local terms energy: -64.318422
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -11.190
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -14.567
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: 388
Temperature: 0.950000
Total energy: -212.339841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.339841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.339841 (E_RNA)
where:
Base-Base interactions energy: -140.330
where: short stacking energy: -64.774
Base-Backbone interact. energy: -1.266
local terms energy: -70.744562
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -19.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -209.344144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.344144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.344144 (E_RNA)
where:
Base-Base interactions energy: -142.779
where: short stacking energy: -66.903
Base-Backbone interact. energy: -0.021
local terms energy: -66.544926
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -17.518
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: 4, replica: 2
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -206.614191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.614191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.614191 (E_RNA)
where:
Base-Base interactions energy: -145.207
where: short stacking energy: -61.199
Base-Backbone interact. energy: -0.047
local terms energy: -61.359835
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -6.042
tors. eta vs tors. theta energy: -15.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -200.582499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.582499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.582499 (E_RNA)
where:
Base-Base interactions energy: -132.224
where: short stacking energy: -62.110
Base-Backbone interact. energy: -0.001
local terms energy: -68.357521
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -18.320
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: 388
Temperature: 1.150000
Total energy: -193.614957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.614957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.614957 (E_RNA)
where:
Base-Base interactions energy: -129.233
where: short stacking energy: -58.915
Base-Backbone interact. energy: -0.905
local terms energy: -63.476232
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -14.273
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -14.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -194.045637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.045637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.045637 (E_RNA)
where:
Base-Base interactions energy: -125.651
where: short stacking energy: -56.320
Base-Backbone interact. energy: -0.157
local terms energy: -68.237153
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -16.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -83.439344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.439344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.439344 (E_RNA)
where:
Base-Base interactions energy: -42.651
where: short stacking energy: -27.174
Base-Backbone interact. energy: 0.927
local terms energy: -41.714625
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -11.251
flat angles C4'-P-C4' energy: -7.913
flat angles P-C4'-P energy: -5.699
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -172.330269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.330269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.330269 (E_RNA)
where:
Base-Base interactions energy: -119.331
where: short stacking energy: -44.099
Base-Backbone interact. energy: -0.620
local terms energy: -52.379005
where:
bonds (distance) C4'-P energy: -10.273
bonds (distance) P-C4' energy: -10.988
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -8.454
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: 6
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -73.648763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.648763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.648763 (E_RNA)
where:
Base-Base interactions energy: -25.456
where: short stacking energy: -21.234
Base-Backbone interact. energy: -0.634
local terms energy: -47.559329
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -11.232
flat angles P-C4'-P energy: -10.314
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: 5
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -211.507957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.507957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.507957 (E_RNA)
where:
Base-Base interactions energy: -145.136
where: short stacking energy: -59.604
Base-Backbone interact. energy: -0.001
local terms energy: -66.370274
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -18.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -209.969794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.969794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.969794 (E_RNA)
where:
Base-Base interactions energy: -141.857
where: short stacking energy: -70.024
Base-Backbone interact. energy: -0.487
local terms energy: -67.625895
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -18.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -199.917700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.917700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.917700 (E_RNA)
where:
Base-Base interactions energy: -134.431
where: short stacking energy: -59.816
Base-Backbone interact. energy: -2.094
local terms energy: -63.392592
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -16.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -207.703093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.703093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.703093 (E_RNA)
where:
Base-Base interactions energy: -141.829
where: short stacking energy: -67.388
Base-Backbone interact. energy: -0.001
local terms energy: -65.872351
where:
bonds (distance) C4'-P energy: -11.786
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -17.696
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: 9
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -194.682955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.682955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.682955 (E_RNA)
where:
Base-Base interactions energy: -135.167
where: short stacking energy: -51.304
Base-Backbone interact. energy: -0.048
local terms energy: -59.468675
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -10.608
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -6.976
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: 6, replica: 7
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -184.974019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.974019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.974019 (E_RNA)
where:
Base-Base interactions energy: -126.917
where: short stacking energy: -53.151
Base-Backbone interact. energy: 0.694
local terms energy: -58.751002
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -7.098
tors. eta vs tors. theta energy: -13.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -182.273493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.273493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.273493 (E_RNA)
where:
Base-Base interactions energy: -124.554
where: short stacking energy: -52.749
Base-Backbone interact. energy: -0.314
local terms energy: -57.405236
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -11.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -180.171638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.171638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.171638 (E_RNA)
where:
Base-Base interactions energy: -128.126
where: short stacking energy: -63.264
Base-Backbone interact. energy: -0.028
local terms energy: -52.017160
where:
bonds (distance) C4'-P energy: -6.142
bonds (distance) P-C4' energy: -7.790
flat angles C4'-P-C4' energy: -12.780
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -16.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -89.599379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.599379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.599379 (E_RNA)
where:
Base-Base interactions energy: -35.620
where: short stacking energy: -33.638
Base-Backbone interact. energy: -0.100
local terms energy: -53.879312
where:
bonds (distance) C4'-P energy: -10.216
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -5.685
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: 10, replica: 6
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -73.423294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.423294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.423294 (E_RNA)
where:
Base-Base interactions energy: -25.617
where: short stacking energy: -18.000
Base-Backbone interact. energy: -0.174
local terms energy: -47.632752
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -5.561
tors. eta vs tors. theta energy: -1.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -216.017892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.017892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.017892 (E_RNA)
where:
Base-Base interactions energy: -154.219
where: short stacking energy: -65.121
Base-Backbone interact. energy: -0.601
local terms energy: -61.198690
where:
bonds (distance) C4'-P energy: -8.248
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -6.391
tors. eta vs tors. theta energy: -19.714
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: 4
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -208.335972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.335972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.335972 (E_RNA)
where:
Base-Base interactions energy: -142.075
where: short stacking energy: -68.421
Base-Backbone interact. energy: -0.019
local terms energy: -66.242034
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -10.194
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -18.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -211.534019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.534019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.534019 (E_RNA)
where:
Base-Base interactions energy: -151.209
where: short stacking energy: -58.922
Base-Backbone interact. energy: -0.851
local terms energy: -59.473990
where:
bonds (distance) C4'-P energy: -5.936
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -14.744
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: 3
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -206.706256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.706256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.706256 (E_RNA)
where:
Base-Base interactions energy: -142.511
where: short stacking energy: -57.745
Base-Backbone interact. energy: -0.062
local terms energy: -64.133258
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -15.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -193.444599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.444599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.444599 (E_RNA)
where:
Base-Base interactions energy: -130.475
where: short stacking energy: -57.565
Base-Backbone interact. energy: -0.001
local terms energy: -62.968581
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -12.066
flat angles C4'-P-C4' energy: -11.711
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -16.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -183.196279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.196279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.196279 (E_RNA)
where:
Base-Base interactions energy: -128.105
where: short stacking energy: -54.663
Base-Backbone interact. energy: -0.160
local terms energy: -54.930684
where:
bonds (distance) C4'-P energy: -10.818
bonds (distance) P-C4' energy: -11.102
flat angles C4'-P-C4' energy: -10.329
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -13.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -187.149395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.149395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.149395 (E_RNA)
where:
Base-Base interactions energy: -121.853
where: short stacking energy: -56.330
Base-Backbone interact. energy: -0.006
local terms energy: -65.290009
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -16.026
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: 390
Temperature: 1.250000
Total energy: -188.074348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.074348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.074348 (E_RNA)
where:
Base-Base interactions energy: -125.431
where: short stacking energy: -54.641
Base-Backbone interact. energy: -0.002
local terms energy: -62.640629
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -14.537
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -12.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -86.317010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.317010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.317010 (E_RNA)
where:
Base-Base interactions energy: -41.066
where: short stacking energy: -19.102
Base-Backbone interact. energy: -0.276
local terms energy: -44.974574
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -7.863
flat angles C4'-P-C4' energy: -10.317
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -4.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -81.417720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.417720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.417720 (E_RNA)
where:
Base-Base interactions energy: -25.530
where: short stacking energy: -17.776
Base-Backbone interact. energy: -0.139
local terms energy: -55.749154
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -11.645
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -8.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -215.545054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.545054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.545054 (E_RNA)
where:
Base-Base interactions energy: -147.995
where: short stacking energy: -62.209
Base-Backbone interact. energy: -0.026
local terms energy: -67.524090
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -12.204
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -14.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -205.322067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.322067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.322067 (E_RNA)
where:
Base-Base interactions energy: -147.522
where: short stacking energy: -50.302
Base-Backbone interact. energy: -0.099
local terms energy: -57.700451
where:
bonds (distance) C4'-P energy: -11.028
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -12.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -206.249056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.249056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.249056 (E_RNA)
where:
Base-Base interactions energy: -143.529
where: short stacking energy: -65.419
Base-Backbone interact. energy: -1.098
local terms energy: -61.621735
where:
bonds (distance) C4'-P energy: -4.744
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -17.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -202.666023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.666023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.666023 (E_RNA)
where:
Base-Base interactions energy: -135.657
where: short stacking energy: -54.157
Base-Backbone interact. energy: -0.092
local terms energy: -66.917061
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -18.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -196.364576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.364576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.364576 (E_RNA)
where:
Base-Base interactions energy: -134.575
where: short stacking energy: -64.835
Base-Backbone interact. energy: -0.010
local terms energy: -61.779708
where:
bonds (distance) C4'-P energy: -9.239
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -17.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -197.308135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.308135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.308135 (E_RNA)
where:
Base-Base interactions energy: -132.116
where: short stacking energy: -60.993
Base-Backbone interact. energy: -0.067
local terms energy: -65.124992
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -11.216
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -16.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -183.517293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.517293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.517293 (E_RNA)
where:
Base-Base interactions energy: -128.586
where: short stacking energy: -56.236
Base-Backbone interact. energy: -0.292
local terms energy: -54.639648
where:
bonds (distance) C4'-P energy: -8.087
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -6.013
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: 8, replica: 1
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -179.754427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.754427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.754427 (E_RNA)
where:
Base-Base interactions energy: -125.713
where: short stacking energy: -52.521
Base-Backbone interact. energy: -0.142
local terms energy: -53.899909
where:
bonds (distance) C4'-P energy: -5.822
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -15.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -74.451480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.451480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.451480 (E_RNA)
where:
Base-Base interactions energy: -37.645
where: short stacking energy: -36.613
Base-Backbone interact. energy: -0.103
local terms energy: -36.704146
where:
bonds (distance) C4'-P energy: -7.880
bonds (distance) P-C4' energy: -12.368
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -1.662
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: 6
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -107.649290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.649290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.649290 (E_RNA)
where:
Base-Base interactions energy: -71.439
where: short stacking energy: -26.224
Base-Backbone interact. energy: -0.679
local terms energy: -35.531263
where:
bonds (distance) C4'-P energy: -11.571
bonds (distance) P-C4' energy: -7.838
flat angles C4'-P-C4' energy: -9.401
flat angles P-C4'-P energy: -6.716
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: 2
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -210.640601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.640601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.640601 (E_RNA)
where:
Base-Base interactions energy: -147.420
where: short stacking energy: -60.917
Base-Backbone interact. energy: -0.092
local terms energy: -63.129111
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -12.710
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -15.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -205.077827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.077827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.077827 (E_RNA)
where:
Base-Base interactions energy: -145.387
where: short stacking energy: -66.575
Base-Backbone interact. energy: -1.621
local terms energy: -58.069114
where:
bonds (distance) C4'-P energy: -7.347
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -16.883
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: 3
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -200.264158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.264158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.264158 (E_RNA)
where:
Base-Base interactions energy: -133.760
where: short stacking energy: -56.563
Base-Backbone interact. energy: -0.193
local terms energy: -66.311614
where:
bonds (distance) C4'-P energy: -8.766
bonds (distance) P-C4' energy: -10.157
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -19.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -201.481149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.481149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.481149 (E_RNA)
where:
Base-Base interactions energy: -132.018
where: short stacking energy: -63.716
Base-Backbone interact. energy: -0.003
local terms energy: -69.459616
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -20.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -201.340209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.340209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.340209 (E_RNA)
where:
Base-Base interactions energy: -136.705
where: short stacking energy: -66.279
Base-Backbone interact. energy: -0.209
local terms energy: -64.426788
where:
bonds (distance) C4'-P energy: -10.684
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -17.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -193.801245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.801245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.801245 (E_RNA)
where:
Base-Base interactions energy: -127.637
where: short stacking energy: -59.570
Base-Backbone interact. energy: -0.001
local terms energy: -66.163119
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -10.036
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -16.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -184.612414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.612414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.612414 (E_RNA)
where:
Base-Base interactions energy: -131.086
where: short stacking energy: -55.903
Base-Backbone interact. energy: -0.152
local terms energy: -53.374437
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -8.508
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -6.090
tors. eta vs tors. theta energy: -12.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -179.480489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.480489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.480489 (E_RNA)
where:
Base-Base interactions energy: -120.256
where: short stacking energy: -51.312
Base-Backbone interact. energy: -0.078
local terms energy: -59.146805
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -11.095
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -13.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -70.343835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.343835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.343835 (E_RNA)
where:
Base-Base interactions energy: -29.760
where: short stacking energy: -24.355
Base-Backbone interact. energy: -0.331
local terms energy: -40.253110
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -0.276
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: 10, replica: 10
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -65.645850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.645850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.645850 (E_RNA)
where:
Base-Base interactions energy: -29.647
where: short stacking energy: -29.647
Base-Backbone interact. energy: -1.848
local terms energy: -34.150142
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -7.609
flat angles C4'-P-C4' energy: -8.500
flat angles P-C4'-P energy: -1.387
tors. eta vs tors. theta energy: -6.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -206.252950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.252950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.252950 (E_RNA)
where:
Base-Base interactions energy: -137.120
where: short stacking energy: -57.721
Base-Backbone interact. energy: -0.403
local terms energy: -68.729312
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -16.832
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: 5
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -211.180323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.180323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.180323 (E_RNA)
where:
Base-Base interactions energy: -143.259
where: short stacking energy: -66.845
Base-Backbone interact. energy: -0.000
local terms energy: -67.920896
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -13.388
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -19.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -208.238510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.238510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.238510 (E_RNA)
where:
Base-Base interactions energy: -139.497
where: short stacking energy: -65.587
Base-Backbone interact. energy: -0.162
local terms energy: -68.579225
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -18.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -204.636934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.636934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.636934 (E_RNA)
where:
Base-Base interactions energy: -139.057
where: short stacking energy: -61.861
Base-Backbone interact. energy: -0.004
local terms energy: -65.576035
where:
bonds (distance) C4'-P energy: -8.289
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -17.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -201.953227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.953227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.953227 (E_RNA)
where:
Base-Base interactions energy: -134.471
where: short stacking energy: -61.936
Base-Backbone interact. energy: -0.286
local terms energy: -67.195731
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -16.410
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: 1
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -198.937391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.937391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.937391 (E_RNA)
where:
Base-Base interactions energy: -135.052
where: short stacking energy: -64.283
Base-Backbone interact. energy: -0.000
local terms energy: -63.885723
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -14.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -189.242325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.242325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.242325 (E_RNA)
where:
Base-Base interactions energy: -130.425
where: short stacking energy: -56.421
Base-Backbone interact. energy: 0.231
local terms energy: -59.048421
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -12.157
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: 7
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -184.696520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.696520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.696520 (E_RNA)
where:
Base-Base interactions energy: -126.821
where: short stacking energy: -50.154
Base-Backbone interact. energy: -0.047
local terms energy: -57.828151
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -10.492
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -14.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -75.019669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.019669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.019669 (E_RNA)
where:
Base-Base interactions energy: -24.963
where: short stacking energy: -24.963
Base-Backbone interact. energy: -0.214
local terms energy: -49.842311
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -2.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -72.743154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.743154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.743154 (E_RNA)
where:
Base-Base interactions energy: -28.960
where: short stacking energy: -28.960
Base-Backbone interact. energy: -0.220
local terms energy: -43.563559
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -9.333
flat angles C4'-P-C4' energy: -9.664
flat angles P-C4'-P energy: -4.872
tors. eta vs tors. theta energy: -6.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -208.007518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.007518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.007518 (E_RNA)
where:
Base-Base interactions energy: -144.319
where: short stacking energy: -67.772
Base-Backbone interact. energy: -0.181
local terms energy: -63.507452
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -10.618
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -16.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -199.221547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.221547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.221547 (E_RNA)
where:
Base-Base interactions energy: -133.321
where: short stacking energy: -62.690
Base-Backbone interact. energy: -0.001
local terms energy: -65.900123
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -17.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -209.148882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.148882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.148882 (E_RNA)
where:
Base-Base interactions energy: -149.294
where: short stacking energy: -64.171
Base-Backbone interact. energy: -0.001
local terms energy: -59.853891
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -9.348
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -15.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -193.282187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.282187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.282187 (E_RNA)
where:
Base-Base interactions energy: -142.721
where: short stacking energy: -59.850
Base-Backbone interact. energy: -0.031
local terms energy: -50.529876
where:
bonds (distance) C4'-P energy: -6.389
bonds (distance) P-C4' energy: -10.718
flat angles C4'-P-C4' energy: -9.979
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -13.360
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: 1
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -200.819022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.819022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.819022 (E_RNA)
where:
Base-Base interactions energy: -143.607
where: short stacking energy: -60.205
Base-Backbone interact. energy: -0.024
local terms energy: -57.187820
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -11.115
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -13.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -173.817376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.817376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.817376 (E_RNA)
where:
Base-Base interactions energy: -113.929
where: short stacking energy: -47.740
Base-Backbone interact. energy: -0.535
local terms energy: -59.353391
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -13.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -189.040212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.040212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.040212 (E_RNA)
where:
Base-Base interactions energy: -130.212
where: short stacking energy: -51.316
Base-Backbone interact. energy: -0.308
local terms energy: -58.520090
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -12.121
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -13.121
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: 7
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -182.641414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.641414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.641414 (E_RNA)
where:
Base-Base interactions energy: -124.755
where: short stacking energy: -50.249
Base-Backbone interact. energy: -0.110
local terms energy: -57.776675
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -9.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -76.855024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.855024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.855024 (E_RNA)
where:
Base-Base interactions energy: -25.981
where: short stacking energy: -25.981
Base-Backbone interact. energy: -0.012
local terms energy: -50.862397
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -11.180
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -3.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -75.152978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.152978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.152978 (E_RNA)
where:
Base-Base interactions energy: -25.275
where: short stacking energy: -22.025
Base-Backbone interact. energy: -0.163
local terms energy: -49.715288
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -12.285
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -4.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -207.508527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.508527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.508527 (E_RNA)
where:
Base-Base interactions energy: -143.012
where: short stacking energy: -67.776
Base-Backbone interact. energy: -0.280
local terms energy: -64.216357
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -15.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -209.423083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.423083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.423083 (E_RNA)
where:
Base-Base interactions energy: -145.462
where: short stacking energy: -61.001
Base-Backbone interact. energy: -0.273
local terms energy: -63.688556
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -15.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -206.092104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.092104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.092104 (E_RNA)
where:
Base-Base interactions energy: -134.287
where: short stacking energy: -61.345
Base-Backbone interact. energy: -0.321
local terms energy: -71.484355
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -11.098
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -18.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -204.149275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.149275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.149275 (E_RNA)
where:
Base-Base interactions energy: -131.712
where: short stacking energy: -59.294
Base-Backbone interact. energy: -0.046
local terms energy: -72.390929
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -11.930
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -13.012
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: 5, replica: 3
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -195.384365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.384365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.384365 (E_RNA)
where:
Base-Base interactions energy: -131.151
where: short stacking energy: -63.957
Base-Backbone interact. energy: -0.011
local terms energy: -64.221798
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -11.489
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -6.393
tors. eta vs tors. theta energy: -17.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -199.706044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.706044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.706044 (E_RNA)
where:
Base-Base interactions energy: -134.997
where: short stacking energy: -52.923
Base-Backbone interact. energy: -0.528
local terms energy: -64.181651
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -11.199
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -14.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -188.548917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.548917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.548917 (E_RNA)
where:
Base-Base interactions energy: -128.607
where: short stacking energy: -51.306
Base-Backbone interact. energy: -0.014
local terms energy: -59.928540
where:
bonds (distance) C4'-P energy: -9.606
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -13.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -173.640270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.640270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.640270 (E_RNA)
where:
Base-Base interactions energy: -113.909
where: short stacking energy: -47.500
Base-Backbone interact. energy: -0.025
local terms energy: -59.706130
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -13.112
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -12.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -87.392914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.392914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.392914 (E_RNA)
where:
Base-Base interactions energy: -36.130
where: short stacking energy: -36.130
Base-Backbone interact. energy: -0.111
local terms energy: -51.151934
where:
bonds (distance) C4'-P energy: -8.427
bonds (distance) P-C4' energy: -11.857
flat angles C4'-P-C4' energy: -9.981
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -8.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -76.667456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.667456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.667456 (E_RNA)
where:
Base-Base interactions energy: -24.423
where: short stacking energy: -24.423
Base-Backbone interact. energy: -0.057
local terms energy: -52.187209
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -4.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -213.684921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.684921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.684921 (E_RNA)
where:
Base-Base interactions energy: -139.385
where: short stacking energy: -62.518
Base-Backbone interact. energy: -1.408
local terms energy: -72.892240
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -18.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -204.078078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.078078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.078078 (E_RNA)
where:
Base-Base interactions energy: -133.626
where: short stacking energy: -67.289
Base-Backbone interact. energy: -0.797
local terms energy: -69.655127
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -19.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -203.458136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.458136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.458136 (E_RNA)
where:
Base-Base interactions energy: -140.873
where: short stacking energy: -61.486
Base-Backbone interact. energy: -0.003
local terms energy: -62.582571
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -12.424
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -15.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -201.153528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.153528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.153528 (E_RNA)
where:
Base-Base interactions energy: -134.160
where: short stacking energy: -63.138
Base-Backbone interact. energy: -0.000
local terms energy: -66.993199
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -17.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -200.365070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.365070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.365070 (E_RNA)
where:
Base-Base interactions energy: -142.499
where: short stacking energy: -55.831
Base-Backbone interact. energy: 1.156
local terms energy: -59.022159
where:
bonds (distance) C4'-P energy: -10.224
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -13.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -190.244340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.244340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.244340 (E_RNA)
where:
Base-Base interactions energy: -129.267
where: short stacking energy: -59.171
Base-Backbone interact. energy: -0.070
local terms energy: -60.907226
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -7.761
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -16.174
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: 7
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -194.392076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.392076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.392076 (E_RNA)
where:
Base-Base interactions energy: -140.904
where: short stacking energy: -53.855
Base-Backbone interact. energy: -1.437
local terms energy: -52.050183
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -6.078
flat angles P-C4'-P energy: -6.503
tors. eta vs tors. theta energy: -12.986
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: 4
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -176.524211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.524211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.524211 (E_RNA)
where:
Base-Base interactions energy: -124.424
where: short stacking energy: -44.357
Base-Backbone interact. energy: 0.017
local terms energy: -52.117774
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -9.541
flat angles C4'-P-C4' energy: -11.882
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -10.063
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: 6
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -148.117038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.117038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.117038 (E_RNA)
where:
Base-Base interactions energy: -95.055
where: short stacking energy: -42.517
Base-Backbone interact. energy: -0.122
local terms energy: -52.940418
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -12.325
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -6.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -68.950041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.950041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.950041 (E_RNA)
where:
Base-Base interactions energy: -31.699
where: short stacking energy: -31.699
Base-Backbone interact. energy: -0.127
local terms energy: -37.124707
where:
bonds (distance) C4'-P energy: -5.722
bonds (distance) P-C4' energy: -12.944
flat angles C4'-P-C4' energy: -10.486
flat angles P-C4'-P energy: -4.380
tors. eta vs tors. theta energy: -3.592
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: 1, replica: 8
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -213.611580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.611580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.611580 (E_RNA)
where:
Base-Base interactions energy: -144.915
where: short stacking energy: -62.509
Base-Backbone interact. energy: -0.239
local terms energy: -68.457512
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -16.900
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: 2
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -212.660178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.660178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.660178 (E_RNA)
where:
Base-Base interactions energy: -145.985
where: short stacking energy: -63.200
Base-Backbone interact. energy: -0.293
local terms energy: -66.382379
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -16.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -206.723264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.723264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.723264 (E_RNA)
where:
Base-Base interactions energy: -139.399
where: short stacking energy: -59.500
Base-Backbone interact. energy: -0.001
local terms energy: -67.323629
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -17.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -198.677683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.677683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.677683 (E_RNA)
where:
Base-Base interactions energy: -135.608
where: short stacking energy: -55.180
Base-Backbone interact. energy: -0.155
local terms energy: -62.914798
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -7.994
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: 5, replica: 1
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -201.791399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.791399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.791399 (E_RNA)
where:
Base-Base interactions energy: -133.185
where: short stacking energy: -63.744
Base-Backbone interact. energy: -0.580
local terms energy: -68.026939
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -15.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -189.701420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.701420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.701420 (E_RNA)
where:
Base-Base interactions energy: -134.478
where: short stacking energy: -60.589
Base-Backbone interact. energy: -0.630
local terms energy: -54.593592
where:
bonds (distance) C4'-P energy: -9.110
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -10.894
flat angles P-C4'-P energy: -5.218
tors. eta vs tors. theta energy: -17.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -189.158658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.158658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.158658 (E_RNA)
where:
Base-Base interactions energy: -130.400
where: short stacking energy: -52.260
Base-Backbone interact. energy: -0.154
local terms energy: -58.604948
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -6.473
tors. eta vs tors. theta energy: -14.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -174.242425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.242425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.242425 (E_RNA)
where:
Base-Base interactions energy: -114.328
where: short stacking energy: -48.514
Base-Backbone interact. energy: -0.294
local terms energy: -59.619773
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -11.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -152.783502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.783502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.783502 (E_RNA)
where:
Base-Base interactions energy: -102.556
where: short stacking energy: -48.127
Base-Backbone interact. energy: -0.001
local terms energy: -50.226390
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -7.747
flat angles C4'-P-C4' energy: -10.373
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -9.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -78.168813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.168813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.168813 (E_RNA)
where:
Base-Base interactions energy: -39.707
where: short stacking energy: -35.732
Base-Backbone interact. energy: -0.181
local terms energy: -38.281051
where:
bonds (distance) C4'-P energy: -7.594
bonds (distance) P-C4' energy: -6.307
flat angles C4'-P-C4' energy: -8.718
flat angles P-C4'-P energy: -10.517
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: 1, replica: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -207.992173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.992173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.992173 (E_RNA)
where:
Base-Base interactions energy: -143.282
where: short stacking energy: -62.031
Base-Backbone interact. energy: -0.004
local terms energy: -64.706717
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -17.583
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: 8
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -210.736514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.736514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.736514 (E_RNA)
where:
Base-Base interactions energy: -144.462
where: short stacking energy: -64.616
Base-Backbone interact. energy: -0.043
local terms energy: -66.232262
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -17.302
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: 9
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -210.126217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.126217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.126217 (E_RNA)
where:
Base-Base interactions energy: -145.711
where: short stacking energy: -59.799
Base-Backbone interact. energy: -0.070
local terms energy: -64.345377
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -5.664
tors. eta vs tors. theta energy: -17.727
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: 4, replica: 5
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -203.364403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.364403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.364403 (E_RNA)
where:
Base-Base interactions energy: -137.414
where: short stacking energy: -66.172
Base-Backbone interact. energy: -0.073
local terms energy: -65.878158
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -18.282
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: 398
Temperature: 1.100000
Total energy: -191.841266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.841266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.841266 (E_RNA)
where:
Base-Base interactions energy: -125.466
where: short stacking energy: -57.349
Base-Backbone interact. energy: 0.508
local terms energy: -66.882702
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -8.318
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -18.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -196.882276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.882276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.882276 (E_RNA)
where:
Base-Base interactions energy: -133.118
where: short stacking energy: -55.809
Base-Backbone interact. energy: -0.005
local terms energy: -63.759004
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -16.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -179.274161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.274161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.274161 (E_RNA)
where:
Base-Base interactions energy: -124.630
where: short stacking energy: -53.805
Base-Backbone interact. energy: -0.471
local terms energy: -54.172983
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -10.625
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -6.271
tors. eta vs tors. theta energy: -14.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -190.882309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.882309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.882309 (E_RNA)
where:
Base-Base interactions energy: -126.873
where: short stacking energy: -56.314
Base-Backbone interact. energy: -0.014
local terms energy: -63.995334
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -10.334
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -14.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -172.306463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.306463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.306463 (E_RNA)
where:
Base-Base interactions energy: -111.381
where: short stacking energy: -47.999
Base-Backbone interact. energy: -0.001
local terms energy: -60.924653
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -14.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -78.603570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.603570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.603570 (E_RNA)
where:
Base-Base interactions energy: -33.197
where: short stacking energy: -28.570
Base-Backbone interact. energy: 0.385
local terms energy: -45.791858
where:
bonds (distance) C4'-P energy: -8.343
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -5.510
tors. eta vs tors. theta energy: -5.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -214.113214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.113214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.113214 (E_RNA)
where:
Base-Base interactions energy: -146.435
where: short stacking energy: -65.100
Base-Backbone interact. energy: -0.010
local terms energy: -67.668611
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -11.205
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -17.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -209.168284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.168284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.168284 (E_RNA)
where:
Base-Base interactions energy: -140.031
where: short stacking energy: -62.104
Base-Backbone interact. energy: -0.152
local terms energy: -68.985001
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -7.794
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: 3, replica: 8
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -204.997209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.997209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.997209 (E_RNA)
where:
Base-Base interactions energy: -138.367
where: short stacking energy: -59.205
Base-Backbone interact. energy: -0.001
local terms energy: -66.629415
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -8.847
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: 4, replica: 3
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -197.112661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.112661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.112661 (E_RNA)
where:
Base-Base interactions energy: -137.664
where: short stacking energy: -66.067
Base-Backbone interact. energy: -1.338
local terms energy: -58.110509
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -11.082
flat angles P-C4'-P energy: -4.909
tors. eta vs tors. theta energy: -18.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -188.855761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.855761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.855761 (E_RNA)
where:
Base-Base interactions energy: -127.361
where: short stacking energy: -57.022
Base-Backbone interact. energy: -0.006
local terms energy: -61.489483
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -11.334
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -17.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -180.016359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.016359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.016359 (E_RNA)
where:
Base-Base interactions energy: -121.432
where: short stacking energy: -49.386
Base-Backbone interact. energy: -0.263
local terms energy: -58.321367
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -12.625
flat angles C4'-P-C4' energy: -11.123
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -10.390
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: 399
Temperature: 1.200000
Total energy: -181.052029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.052029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.052029 (E_RNA)
where:
Base-Base interactions energy: -124.080
where: short stacking energy: -55.098
Base-Backbone interact. energy: -0.404
local terms energy: -56.568165
where:
bonds (distance) C4'-P energy: -5.619
bonds (distance) P-C4' energy: -13.002
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: -17.729
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: 8, replica: 6
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -170.212862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.212862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.212862 (E_RNA)
where:
Base-Base interactions energy: -114.331
where: short stacking energy: -51.224
Base-Backbone interact. energy: -0.000
local terms energy: -55.881381
where:
bonds (distance) C4'-P energy: -7.180
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -10.370
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -12.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -176.432705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.432705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.432705 (E_RNA)
where:
Base-Base interactions energy: -121.503
where: short stacking energy: -45.688
Base-Backbone interact. energy: -0.625
local terms energy: -54.305067
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -9.455
flat angles P-C4'-P energy: -4.049
tors. eta vs tors. theta energy: -14.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -72.525129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.525129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.525129 (E_RNA)
where:
Base-Base interactions energy: -31.518
where: short stacking energy: -31.518
Base-Backbone interact. energy: 0.014
local terms energy: -41.020798
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -9.406
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -3.308
tors. eta vs tors. theta energy: -3.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -210.109891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.109891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.109891 (E_RNA)
where:
Base-Base interactions energy: -143.953
where: short stacking energy: -66.904
Base-Backbone interact. energy: -0.499
local terms energy: -65.657860
where:
bonds (distance) C4'-P energy: -9.528
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -18.092
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: 2
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -212.013901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.013901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.013901 (E_RNA)
where:
Base-Base interactions energy: -143.393
where: short stacking energy: -66.817
Base-Backbone interact. energy: -0.004
local terms energy: -68.616885
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -17.533
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: 3
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -209.978228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.978228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.978228 (E_RNA)
where:
Base-Base interactions energy: -141.481
where: short stacking energy: -69.325
Base-Backbone interact. energy: -0.078
local terms energy: -68.419509
where:
bonds (distance) C4'-P energy: -10.148
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -19.464
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: 8
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -195.289158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.289158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.289158 (E_RNA)
where:
Base-Base interactions energy: -129.632
where: short stacking energy: -54.000
Base-Backbone interact. energy: 0.109
local terms energy: -65.766158
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -13.980
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: 4
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -193.861873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.861873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.861873 (E_RNA)
where:
Base-Base interactions energy: -132.208
where: short stacking energy: -51.026
Base-Backbone interact. energy: -0.025
local terms energy: -61.628685
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -13.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -188.756110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.756110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.756110 (E_RNA)
where:
Base-Base interactions energy: -131.612
where: short stacking energy: -49.056
Base-Backbone interact. energy: -1.327
local terms energy: -55.817395
where:
bonds (distance) C4'-P energy: -8.878
bonds (distance) P-C4' energy: -10.876
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -11.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -143.591496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.591496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.591496 (E_RNA)
where:
Base-Base interactions energy: -96.434
where: short stacking energy: -46.932
Base-Backbone interact. energy: -1.551
local terms energy: -45.605963
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -7.022
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -6.570
tors. eta vs tors. theta energy: -4.911
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: 1
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -172.268251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.268251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.268251 (E_RNA)
where:
Base-Base interactions energy: -118.244
where: short stacking energy: -47.589
Base-Backbone interact. energy: -0.077
local terms energy: -53.947631
where:
bonds (distance) C4'-P energy: -8.832
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -12.194
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -9.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -174.211607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.211607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.211607 (E_RNA)
where:
Base-Base interactions energy: -121.121
where: short stacking energy: -45.554
Base-Backbone interact. energy: -0.286
local terms energy: -52.804215
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -5.767
tors. eta vs tors. theta energy: -8.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -69.022776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.022776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.022776 (E_RNA)
where:
Base-Base interactions energy: -26.452
where: short stacking energy: -26.085
Base-Backbone interact. energy: -0.118
local terms energy: -42.452765
where:
bonds (distance) C4'-P energy: -8.421
bonds (distance) P-C4' energy: -11.603
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -2.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -214.249366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.249366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.249366 (E_RNA)
where:
Base-Base interactions energy: -146.783
where: short stacking energy: -68.748
Base-Backbone interact. energy: -2.220
local terms energy: -65.246606
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -12.784
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -8.374
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: 3
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -213.049927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.049927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.049927 (E_RNA)
where:
Base-Base interactions energy: -144.521
where: short stacking energy: -66.997
Base-Backbone interact. energy: -1.227
local terms energy: -67.301910
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -6.413
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: 3, replica: 2
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -210.344382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.344382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.344382 (E_RNA)
where:
Base-Base interactions energy: -142.464
where: short stacking energy: -65.765
Base-Backbone interact. energy: -1.600
local terms energy: -66.280188
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -11.517
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -19.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -197.427553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.427553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.427553 (E_RNA)
where:
Base-Base interactions energy: -135.125
where: short stacking energy: -60.076
Base-Backbone interact. energy: -0.072
local terms energy: -62.230840
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -14.079
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: 8
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -197.772978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.772978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.772978 (E_RNA)
where:
Base-Base interactions energy: -133.684
where: short stacking energy: -64.246
Base-Backbone interact. energy: 1.581
local terms energy: -65.670106
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -18.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -191.667335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.667335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.667335 (E_RNA)
where:
Base-Base interactions energy: -131.425
where: short stacking energy: -56.875
Base-Backbone interact. energy: 0.286
local terms energy: -60.528301
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -8.189
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -16.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -163.845840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.845840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.845840 (E_RNA)
where:
Base-Base interactions energy: -105.008
where: short stacking energy: -50.604
Base-Backbone interact. energy: -0.017
local terms energy: -58.820532
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -5.316
tors. eta vs tors. theta energy: -11.199
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: 7
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -186.001975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.001975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.001975 (E_RNA)
where:
Base-Base interactions energy: -125.147
where: short stacking energy: -54.096
Base-Backbone interact. energy: -0.082
local terms energy: -60.773001
where:
bonds (distance) C4'-P energy: -9.854
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -9.336
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -16.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -180.678481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.678481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.678481 (E_RNA)
where:
Base-Base interactions energy: -117.099
where: short stacking energy: -53.192
Base-Backbone interact. energy: -0.242
local terms energy: -63.337729
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -14.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -68.825562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.825562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.825562 (E_RNA)
where:
Base-Base interactions energy: -22.159
where: short stacking energy: -22.159
Base-Backbone interact. energy: -0.837
local terms energy: -45.829521
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -11.190
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -8.397
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: 1, replica: 9
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -211.326169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.326169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.326169 (E_RNA)
where:
Base-Base interactions energy: -141.997
where: short stacking energy: -65.801
Base-Backbone interact. energy: -0.165
local terms energy: -69.164449
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -17.349
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: 3
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -210.631348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.631348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.631348 (E_RNA)
where:
Base-Base interactions energy: -138.627
where: short stacking energy: -67.369
Base-Backbone interact. energy: -0.012
local terms energy: -71.992766
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -19.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -208.662110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.662110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.662110 (E_RNA)
where:
Base-Base interactions energy: -139.009
where: short stacking energy: -65.984
Base-Backbone interact. energy: -0.078
local terms energy: -69.574995
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -17.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -200.167109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.167109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.167109 (E_RNA)
where:
Base-Base interactions energy: -137.397
where: short stacking energy: -66.122
Base-Backbone interact. energy: -1.379
local terms energy: -61.391023
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -5.591
tors. eta vs tors. theta energy: -17.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -196.885228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.885228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.885228 (E_RNA)
where:
Base-Base interactions energy: -129.853
where: short stacking energy: -60.700
Base-Backbone interact. energy: -0.028
local terms energy: -67.004289
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -16.185
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: 5
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -195.450517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.450517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.450517 (E_RNA)
where:
Base-Base interactions energy: -131.484
where: short stacking energy: -62.640
Base-Backbone interact. energy: -0.312
local terms energy: -63.655021
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -18.153
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: 7
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -195.287520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.287520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.287520 (E_RNA)
where:
Base-Base interactions energy: -136.200
where: short stacking energy: -55.565
Base-Backbone interact. energy: -0.007
local terms energy: -59.081004
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -11.215
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -14.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -182.792380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.792380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.792380 (E_RNA)
where:
Base-Base interactions energy: -125.763
where: short stacking energy: -53.333
Base-Backbone interact. energy: -0.596
local terms energy: -56.433297
where:
bonds (distance) C4'-P energy: -8.599
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -8.101
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -14.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -74.105074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.105074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.105074 (E_RNA)
where:
Base-Base interactions energy: -28.583
where: short stacking energy: -27.310
Base-Backbone interact. energy: -0.015
local terms energy: -45.507355
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -12.211
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -6.959
tors. eta vs tors. theta energy: -4.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -155.794829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.794829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.794829 (E_RNA)
where:
Base-Base interactions energy: -96.270
where: short stacking energy: -42.809
Base-Backbone interact. energy: -0.165
local terms energy: -59.359879
where:
bonds (distance) C4'-P energy: -11.835
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -10.703
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -12.528
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: 1, replica: 9
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -209.356314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.356314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.356314 (E_RNA)
where:
Base-Base interactions energy: -145.827
where: short stacking energy: -65.595
Base-Backbone interact. energy: -0.294
local terms energy: -63.234647
where:
bonds (distance) C4'-P energy: -9.809
bonds (distance) P-C4' energy: -12.286
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -6.567
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: 2, replica: 3
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -205.035734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.035734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.035734 (E_RNA)
where:
Base-Base interactions energy: -149.651
where: short stacking energy: -58.522
Base-Backbone interact. energy: -0.218
local terms energy: -55.166607
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -11.958
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -5.357
tors. eta vs tors. theta energy: -9.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -206.775729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.775729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.775729 (E_RNA)
where:
Base-Base interactions energy: -149.152
where: short stacking energy: -54.571
Base-Backbone interact. energy: -0.078
local terms energy: -57.545652
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -11.624
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -11.924
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: 8
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -181.706731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.706731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.706731 (E_RNA)
where:
Base-Base interactions energy: -127.289
where: short stacking energy: -54.494
Base-Backbone interact. energy: -0.126
local terms energy: -54.291530
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -11.999
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -10.833
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: 2
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -201.290589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.290589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.290589 (E_RNA)
where:
Base-Base interactions energy: -136.422
where: short stacking energy: -58.294
Base-Backbone interact. energy: -0.569
local terms energy: -64.299678
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -15.128
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: 6, replica: 7
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -192.930825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.930825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.930825 (E_RNA)
where:
Base-Base interactions energy: -127.369
where: short stacking energy: -56.180
Base-Backbone interact. energy: -0.207
local terms energy: -65.354598
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -14.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -177.002784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.002784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.002784 (E_RNA)
where:
Base-Base interactions energy: -121.987
where: short stacking energy: -59.641
Base-Backbone interact. energy: 0.007
local terms energy: -55.022100
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -7.213
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -11.715
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: 6
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -172.304180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.304180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.304180 (E_RNA)
where:
Base-Base interactions energy: -118.584
where: short stacking energy: -45.965
Base-Backbone interact. energy: -0.099
local terms energy: -53.622119
where:
bonds (distance) C4'-P energy: -8.765
bonds (distance) P-C4' energy: -12.318
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -9.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -82.324110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.324110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.324110 (E_RNA)
where:
Base-Base interactions energy: -31.995
where: short stacking energy: -31.995
Base-Backbone interact. energy: -0.065
local terms energy: -50.263753
where:
bonds (distance) C4'-P energy: -8.361
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -10.677
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -9.550
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: 403
Temperature: 1.350000
Total energy: -158.482233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.482233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.482233 (E_RNA)
where:
Base-Base interactions energy: -109.067
where: short stacking energy: -53.892
Base-Backbone interact. energy: -0.332
local terms energy: -49.082324
where:
bonds (distance) C4'-P energy: -7.757
bonds (distance) P-C4' energy: -8.902
flat angles C4'-P-C4' energy: -11.240
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: -13.371
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: 1, replica: 3
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -209.815169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.815169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.815169 (E_RNA)
where:
Base-Base interactions energy: -144.606
where: short stacking energy: -61.391
Base-Backbone interact. energy: -0.011
local terms energy: -65.198282
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -15.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -205.781658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.781658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.781658 (E_RNA)
where:
Base-Base interactions energy: -141.776
where: short stacking energy: -63.751
Base-Backbone interact. energy: -0.073
local terms energy: -63.932561
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -14.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -205.815323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.815323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.815323 (E_RNA)
where:
Base-Base interactions energy: -137.438
where: short stacking energy: -62.805
Base-Backbone interact. energy: -0.043
local terms energy: -68.333986
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -10.028
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: 4, replica: 8
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -201.351560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.351560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.351560 (E_RNA)
where:
Base-Base interactions energy: -132.922
where: short stacking energy: -65.684
Base-Backbone interact. energy: -0.790
local terms energy: -67.638963
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -16.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -193.904240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.904240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.904240 (E_RNA)
where:
Base-Base interactions energy: -132.733
where: short stacking energy: -60.745
Base-Backbone interact. energy: -0.065
local terms energy: -61.105715
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -8.614
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -15.189
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: 404
Temperature: 1.150000
Total energy: -186.727632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.727632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.727632 (E_RNA)
where:
Base-Base interactions energy: -124.883
where: short stacking energy: -50.727
Base-Backbone interact. energy: -0.591
local terms energy: -61.253361
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -10.743
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -13.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -173.089353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.089353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.089353 (E_RNA)
where:
Base-Base interactions energy: -115.415
where: short stacking energy: -45.927
Base-Backbone interact. energy: -0.092
local terms energy: -57.581649
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -11.830
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -12.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -175.628988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.628988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.628988 (E_RNA)
where:
Base-Base interactions energy: -118.553
where: short stacking energy: -46.597
Base-Backbone interact. energy: -0.000
local terms energy: -57.076226
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -5.773
tors. eta vs tors. theta energy: -12.127
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: 404
Temperature: 1.300000
Total energy: -178.149121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.149121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.149121 (E_RNA)
where:
Base-Base interactions energy: -125.215
where: short stacking energy: -60.689
Base-Backbone interact. energy: -0.001
local terms energy: -52.932892
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -9.783
flat angles P-C4'-P energy: -3.918
tors. eta vs tors. theta energy: -14.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -68.206965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.206965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.206965 (E_RNA)
where:
Base-Base interactions energy: -29.082
where: short stacking energy: -29.082
Base-Backbone interact. energy: -0.023
local terms energy: -39.101691
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -9.950
flat angles C4'-P-C4' energy: -9.312
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -0.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -213.126016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.126016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.126016 (E_RNA)
where:
Base-Base interactions energy: -148.434
where: short stacking energy: -59.359
Base-Backbone interact. energy: -0.008
local terms energy: -64.684306
where:
bonds (distance) C4'-P energy: -9.313
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -7.200
tors. eta vs tors. theta energy: -17.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -210.914486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.914486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.914486 (E_RNA)
where:
Base-Base interactions energy: -145.657
where: short stacking energy: -56.072
Base-Backbone interact. energy: -0.154
local terms energy: -65.103751
where:
bonds (distance) C4'-P energy: -10.225
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -13.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -210.112772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.112772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.112772 (E_RNA)
where:
Base-Base interactions energy: -148.100
where: short stacking energy: -58.235
Base-Backbone interact. energy: -0.241
local terms energy: -61.771818
where:
bonds (distance) C4'-P energy: -9.673
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -14.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -197.527460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.527460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.527460 (E_RNA)
where:
Base-Base interactions energy: -132.881
where: short stacking energy: -65.051
Base-Backbone interact. energy: -0.041
local terms energy: -64.604958
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -14.800
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: 2
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -186.242382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.242382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.242382 (E_RNA)
where:
Base-Base interactions energy: -132.524
where: short stacking energy: -60.467
Base-Backbone interact. energy: -0.091
local terms energy: -53.627196
where:
bonds (distance) C4'-P energy: -8.695
bonds (distance) P-C4' energy: -10.851
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -11.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -199.802067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.802067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.802067 (E_RNA)
where:
Base-Base interactions energy: -129.073
where: short stacking energy: -55.124
Base-Backbone interact. energy: -0.004
local terms energy: -70.724798
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -16.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -165.547807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.547807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.547807 (E_RNA)
where:
Base-Base interactions energy: -112.831
where: short stacking energy: -48.691
Base-Backbone interact. energy: -0.000
local terms energy: -52.716464
where:
bonds (distance) C4'-P energy: -10.635
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -10.370
flat angles P-C4'-P energy: -4.988
tors. eta vs tors. theta energy: -11.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -183.986343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.986343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.986343 (E_RNA)
where:
Base-Base interactions energy: -120.767
where: short stacking energy: -54.246
Base-Backbone interact. energy: -0.000
local terms energy: -63.218675
where:
bonds (distance) C4'-P energy: -9.672
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -16.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -181.886440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.886440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.886440 (E_RNA)
where:
Base-Base interactions energy: -124.915
where: short stacking energy: -49.039
Base-Backbone interact. energy: -0.006
local terms energy: -56.965159
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -5.927
tors. eta vs tors. theta energy: -12.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -68.112688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.112688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.112688 (E_RNA)
where:
Base-Base interactions energy: -31.789
where: short stacking energy: -29.629
Base-Backbone interact. energy: 2.413
local terms energy: -38.736949
where:
bonds (distance) C4'-P energy: -3.250
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -2.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -210.256501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.256501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.256501 (E_RNA)
where:
Base-Base interactions energy: -141.781
where: short stacking energy: -56.875
Base-Backbone interact. energy: -0.523
local terms energy: -67.951989
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -16.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -212.718139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.718139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.718139 (E_RNA)
where:
Base-Base interactions energy: -144.538
where: short stacking energy: -65.224
Base-Backbone interact. energy: -0.028
local terms energy: -68.151746
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -17.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -203.802547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.802547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.802547 (E_RNA)
where:
Base-Base interactions energy: -138.666
where: short stacking energy: -59.374
Base-Backbone interact. energy: -0.001
local terms energy: -65.135696
where:
bonds (distance) C4'-P energy: -11.032
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -10.672
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -17.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -211.303676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.303676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.303676 (E_RNA)
where:
Base-Base interactions energy: -145.053
where: short stacking energy: -56.361
Base-Backbone interact. energy: -0.044
local terms energy: -66.206327
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -12.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -196.852116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.852116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.852116 (E_RNA)
where:
Base-Base interactions energy: -134.640
where: short stacking energy: -58.859
Base-Backbone interact. energy: -1.409
local terms energy: -60.803605
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -11.465
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -13.855
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: 406
Temperature: 1.150000
Total energy: -194.926208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.926208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.926208 (E_RNA)
where:
Base-Base interactions energy: -129.536
where: short stacking energy: -47.927
Base-Backbone interact. energy: -1.067
local terms energy: -64.322854
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -13.195
flat angles C4'-P-C4' energy: -11.704
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -16.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -192.445243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.445243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.445243 (E_RNA)
where:
Base-Base interactions energy: -125.700
where: short stacking energy: -60.053
Base-Backbone interact. energy: -0.003
local terms energy: -66.742321
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -7.156
tors. eta vs tors. theta energy: -17.159
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: 5
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -151.414932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.414932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.414932 (E_RNA)
where:
Base-Base interactions energy: -107.069
where: short stacking energy: -45.114
Base-Backbone interact. energy: -0.076
local terms energy: -44.269911
where:
bonds (distance) C4'-P energy: -6.356
bonds (distance) P-C4' energy: -10.887
flat angles C4'-P-C4' energy: -9.738
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -9.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -151.798543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.798543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.798543 (E_RNA)
where:
Base-Base interactions energy: -94.052
where: short stacking energy: -46.030
Base-Backbone interact. energy: -0.000
local terms energy: -57.745895
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -13.465
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: 10
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -80.333300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.333300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.333300 (E_RNA)
where:
Base-Base interactions energy: -38.105
where: short stacking energy: -38.105
Base-Backbone interact. energy: -0.006
local terms energy: -42.222960
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -10.060
flat angles C4'-P-C4' energy: -8.366
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -5.778
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: 4
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -208.262401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.262401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.262401 (E_RNA)
where:
Base-Base interactions energy: -142.518
where: short stacking energy: -61.494
Base-Backbone interact. energy: -0.004
local terms energy: -65.740242
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -12.999
flat angles C4'-P-C4' energy: -10.393
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -17.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -209.736433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.736433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.736433 (E_RNA)
where:
Base-Base interactions energy: -141.616
where: short stacking energy: -61.145
Base-Backbone interact. energy: -0.705
local terms energy: -67.415515
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -9.989
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: 3, replica: 3
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -205.503046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.503046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.503046 (E_RNA)
where:
Base-Base interactions energy: -142.869
where: short stacking energy: -60.752
Base-Backbone interact. energy: -0.014
local terms energy: -62.619697
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: -16.404
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: 4, replica: 9
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -194.863688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.863688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.863688 (E_RNA)
where:
Base-Base interactions energy: -133.753
where: short stacking energy: -57.280
Base-Backbone interact. energy: -0.066
local terms energy: -61.044305
where:
bonds (distance) C4'-P energy: -8.042
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -6.176
tors. eta vs tors. theta energy: -16.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -193.035367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.035367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.035367 (E_RNA)
where:
Base-Base interactions energy: -136.939
where: short stacking energy: -59.446
Base-Backbone interact. energy: -0.106
local terms energy: -55.991327
where:
bonds (distance) C4'-P energy: -9.346
bonds (distance) P-C4' energy: -8.943
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -12.764
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: 1
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -184.570509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.570509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.570509 (E_RNA)
where:
Base-Base interactions energy: -133.047
where: short stacking energy: -52.115
Base-Backbone interact. energy: -0.289
local terms energy: -51.234348
where:
bonds (distance) C4'-P energy: -7.918
bonds (distance) P-C4' energy: -11.692
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -10.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -180.038416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.038416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.038416 (E_RNA)
where:
Base-Base interactions energy: -124.471
where: short stacking energy: -49.464
Base-Backbone interact. energy: -0.235
local terms energy: -55.332037
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -10.432
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -11.045
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: 5
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -154.659085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.659085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.659085 (E_RNA)
where:
Base-Base interactions energy: -103.022
where: short stacking energy: -40.267
Base-Backbone interact. energy: -0.081
local terms energy: -51.556257
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -12.600
flat angles C4'-P-C4' energy: -10.879
flat angles P-C4'-P energy: -8.676
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: 9, replica: 6
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -168.915277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.915277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.915277 (E_RNA)
where:
Base-Base interactions energy: -118.084
where: short stacking energy: -50.172
Base-Backbone interact. energy: 1.641
local terms energy: -52.472411
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -10.700
flat angles P-C4'-P energy: -6.670
tors. eta vs tors. theta energy: -10.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -71.384035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.384035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.384035 (E_RNA)
where:
Base-Base interactions energy: -37.499
where: short stacking energy: -27.383
Base-Backbone interact. energy: -0.252
local terms energy: -33.633121
where:
bonds (distance) C4'-P energy: -6.386
bonds (distance) P-C4' energy: -11.069
flat angles C4'-P-C4' energy: -11.530
flat angles P-C4'-P energy: -2.493
tors. eta vs tors. theta energy: -2.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -207.965403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.965403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.965403 (E_RNA)
where:
Base-Base interactions energy: -138.575
where: short stacking energy: -67.132
Base-Backbone interact. energy: -0.409
local terms energy: -68.980803
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -12.158
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -18.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -207.997452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.997452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.997452 (E_RNA)
where:
Base-Base interactions energy: -139.094
where: short stacking energy: -52.236
Base-Backbone interact. energy: -1.035
local terms energy: -67.867852
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -14.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -200.992283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.992283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.992283 (E_RNA)
where:
Base-Base interactions energy: -141.822
where: short stacking energy: -61.225
Base-Backbone interact. energy: 0.488
local terms energy: -59.658842
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -6.304
tors. eta vs tors. theta energy: -15.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -204.709594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.709594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.709594 (E_RNA)
where:
Base-Base interactions energy: -135.611
where: short stacking energy: -66.294
Base-Backbone interact. energy: -0.072
local terms energy: -69.025913
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -18.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -203.067813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.067813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.067813 (E_RNA)
where:
Base-Base interactions energy: -147.662
where: short stacking energy: -60.278
Base-Backbone interact. energy: -0.564
local terms energy: -54.841265
where:
bonds (distance) C4'-P energy: -3.166
bonds (distance) P-C4' energy: -11.003
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -9.745
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: 6, replica: 1
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -192.069466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.069466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.069466 (E_RNA)
where:
Base-Base interactions energy: -129.214
where: short stacking energy: -50.965
Base-Backbone interact. energy: -0.135
local terms energy: -62.720357
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -10.323
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -14.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -190.861880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.861880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.861880 (E_RNA)
where:
Base-Base interactions energy: -129.139
where: short stacking energy: -61.650
Base-Backbone interact. energy: -0.018
local terms energy: -61.705044
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -9.583
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -15.947
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: 8, replica: 5
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -160.922853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.922853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.922853 (E_RNA)
where:
Base-Base interactions energy: -106.091
where: short stacking energy: -42.795
Base-Backbone interact. energy: 0.432
local terms energy: -55.264295
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -9.609
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -11.504
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: 9, replica: 6
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -173.637330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.637330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.637330 (E_RNA)
where:
Base-Base interactions energy: -116.305
where: short stacking energy: -49.905
Base-Backbone interact. energy: -0.112
local terms energy: -57.220277
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -7.348
tors. eta vs tors. theta energy: -13.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -72.418891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.418891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.418891 (E_RNA)
where:
Base-Base interactions energy: -31.101
where: short stacking energy: -31.101
Base-Backbone interact. energy: 0.003
local terms energy: -41.321471
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -11.523
flat angles C4'-P-C4' energy: -5.585
flat angles P-C4'-P energy: -5.511
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: 8
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -211.754696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.754696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.754696 (E_RNA)
where:
Base-Base interactions energy: -144.233
where: short stacking energy: -64.971
Base-Backbone interact. energy: -0.751
local terms energy: -66.770227
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -12.493
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -19.089
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: 409
Temperature: 0.950000
Total energy: -211.892286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.892286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.892286 (E_RNA)
where:
Base-Base interactions energy: -148.866
where: short stacking energy: -50.523
Base-Backbone interact. energy: -0.150
local terms energy: -62.876280
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: -15.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -201.643864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.643864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.643864 (E_RNA)
where:
Base-Base interactions energy: -133.670
where: short stacking energy: -61.110
Base-Backbone interact. energy: -0.021
local terms energy: -67.953641
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -10.959
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -17.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -207.842002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.842002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.842002 (E_RNA)
where:
Base-Base interactions energy: -144.006
where: short stacking energy: -58.116
Base-Backbone interact. energy: -0.099
local terms energy: -63.737625
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -13.062
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -6.236
tors. eta vs tors. theta energy: -16.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -202.231897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.231897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.231897 (E_RNA)
where:
Base-Base interactions energy: -140.954
where: short stacking energy: -59.598
Base-Backbone interact. energy: -0.793
local terms energy: -60.484843
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -13.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -196.252888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.252888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.252888 (E_RNA)
where:
Base-Base interactions energy: -137.759
where: short stacking energy: -59.119
Base-Backbone interact. energy: -0.447
local terms energy: -58.047658
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -2.019
tors. eta vs tors. theta energy: -16.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -161.667561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.667561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.667561 (E_RNA)
where:
Base-Base interactions energy: -115.141
where: short stacking energy: -55.866
Base-Backbone interact. energy: 0.353
local terms energy: -46.879378
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -7.077
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -5.548
tors. eta vs tors. theta energy: -9.453
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: 8, replica: 6
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -175.690803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.690803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.690803 (E_RNA)
where:
Base-Base interactions energy: -120.988
where: short stacking energy: -52.948
Base-Backbone interact. energy: -0.043
local terms energy: -54.659586
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -8.299
flat angles C4'-P-C4' energy: -10.457
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -13.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -179.359235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.359235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.359235 (E_RNA)
where:
Base-Base interactions energy: -123.773
where: short stacking energy: -55.059
Base-Backbone interact. energy: -0.012
local terms energy: -55.573943
where:
bonds (distance) C4'-P energy: -8.021
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -12.822
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: 10, replica: 10
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -75.621988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.621988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.621988 (E_RNA)
where:
Base-Base interactions energy: -33.479
where: short stacking energy: -31.881
Base-Backbone interact. energy: -0.182
local terms energy: -41.960786
where:
bonds (distance) C4'-P energy: -6.833
bonds (distance) P-C4' energy: -10.326
flat angles C4'-P-C4' energy: -8.897
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -7.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -213.068716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.068716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.068716 (E_RNA)
where:
Base-Base interactions energy: -151.430
where: short stacking energy: -65.521
Base-Backbone interact. energy: -0.002
local terms energy: -61.637312
where:
bonds (distance) C4'-P energy: -10.145
bonds (distance) P-C4' energy: -12.229
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -15.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -204.098077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.098077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.098077 (E_RNA)
where:
Base-Base interactions energy: -136.386
where: short stacking energy: -65.249
Base-Backbone interact. energy: -0.002
local terms energy: -67.710056
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -16.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -208.260305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.260305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.260305 (E_RNA)
where:
Base-Base interactions energy: -138.595
where: short stacking energy: -63.556
Base-Backbone interact. energy: -0.110
local terms energy: -69.555694
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -18.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -194.322564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.322564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.322564 (E_RNA)
where:
Base-Base interactions energy: -129.614
where: short stacking energy: -56.163
Base-Backbone interact. energy: -0.461
local terms energy: -64.248242
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -12.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -203.059088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.059088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.059088 (E_RNA)
where:
Base-Base interactions energy: -138.845
where: short stacking energy: -68.346
Base-Backbone interact. energy: 0.550
local terms energy: -64.764200
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -11.242
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -19.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -195.357830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.357830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.357830 (E_RNA)
where:
Base-Base interactions energy: -134.275
where: short stacking energy: -61.338
Base-Backbone interact. energy: -1.049
local terms energy: -60.033619
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -10.162
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -15.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -178.279048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.279048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.279048 (E_RNA)
where:
Base-Base interactions energy: -126.356
where: short stacking energy: -47.031
Base-Backbone interact. energy: -0.259
local terms energy: -51.664821
where:
bonds (distance) C4'-P energy: -9.701
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -9.773
flat angles P-C4'-P energy: -6.413
tors. eta vs tors. theta energy: -13.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -158.030977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.030977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.030977 (E_RNA)
where:
Base-Base interactions energy: -106.201
where: short stacking energy: -45.413
Base-Backbone interact. energy: -0.183
local terms energy: -51.647335
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -12.125
flat angles C4'-P-C4' energy: -9.479
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -9.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -175.005586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.005586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.005586 (E_RNA)
where:
Base-Base interactions energy: -117.117
where: short stacking energy: -54.081
Base-Backbone interact. energy: -0.090
local terms energy: -57.797956
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -10.978
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: 10
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -69.093200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.093200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.093200 (E_RNA)
where:
Base-Base interactions energy: -23.289
where: short stacking energy: -18.220
Base-Backbone interact. energy: 1.683
local terms energy: -47.486881
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -11.251
flat angles C4'-P-C4' energy: -11.153
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -2.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -209.791224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.791224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.791224 (E_RNA)
where:
Base-Base interactions energy: -139.455
where: short stacking energy: -61.008
Base-Backbone interact. energy: -0.000
local terms energy: -70.336019
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -17.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -209.418111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.418111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.418111 (E_RNA)
where:
Base-Base interactions energy: -142.095
where: short stacking energy: -62.766
Base-Backbone interact. energy: -1.350
local terms energy: -65.974024
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -10.678
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -17.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -206.736468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.736468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.736468 (E_RNA)
where:
Base-Base interactions energy: -137.354
where: short stacking energy: -65.342
Base-Backbone interact. energy: -0.164
local terms energy: -69.218509
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -19.110
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: 3
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -210.031959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.031959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.031959 (E_RNA)
where:
Base-Base interactions energy: -141.698
where: short stacking energy: -64.592
Base-Backbone interact. energy: -0.001
local terms energy: -68.332453
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -18.674
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: 9
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -202.773224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.773224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.773224 (E_RNA)
where:
Base-Base interactions energy: -138.017
where: short stacking energy: -61.649
Base-Backbone interact. energy: -1.190
local terms energy: -63.566263
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -16.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -178.475463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.475463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.475463 (E_RNA)
where:
Base-Base interactions energy: -117.357
where: short stacking energy: -45.314
Base-Backbone interact. energy: -0.104
local terms energy: -61.013714
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -8.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -184.034578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.034578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.034578 (E_RNA)
where:
Base-Base interactions energy: -127.650
where: short stacking energy: -49.805
Base-Backbone interact. energy: -0.216
local terms energy: -56.169076
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -11.352
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -14.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -160.858717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.858717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.858717 (E_RNA)
where:
Base-Base interactions energy: -107.178
where: short stacking energy: -51.376
Base-Backbone interact. energy: 0.344
local terms energy: -54.025253
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -11.389
flat angles C4'-P-C4' energy: -8.570
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -14.706
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: 9, replica: 2
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -159.142980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.142980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.142980 (E_RNA)
where:
Base-Base interactions energy: -106.288
where: short stacking energy: -56.393
Base-Backbone interact. energy: -0.018
local terms energy: -52.837012
where:
bonds (distance) C4'-P energy: -10.066
bonds (distance) P-C4' energy: -9.579
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -6.701
tors. eta vs tors. theta energy: -13.101
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: 10
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -74.222615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.222615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.222615 (E_RNA)
where:
Base-Base interactions energy: -30.693
where: short stacking energy: -20.790
Base-Backbone interact. energy: -0.077
local terms energy: -43.452676
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -5.771
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: 1, replica: 8
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -207.962823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.962823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.962823 (E_RNA)
where:
Base-Base interactions energy: -141.071
where: short stacking energy: -63.783
Base-Backbone interact. energy: -0.735
local terms energy: -66.156227
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -11.033
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -18.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -211.801127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.801127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.801127 (E_RNA)
where:
Base-Base interactions energy: -143.411
where: short stacking energy: -67.181
Base-Backbone interact. energy: -1.855
local terms energy: -66.534866
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -11.179
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -9.186
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: 3, replica: 3
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -202.688671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.688671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.688671 (E_RNA)
where:
Base-Base interactions energy: -137.993
where: short stacking energy: -56.433
Base-Backbone interact. energy: 0.899
local terms energy: -65.595249
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -16.148
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: 7
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -210.099171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.099171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.099171 (E_RNA)
where:
Base-Base interactions energy: -138.411
where: short stacking energy: -67.240
Base-Backbone interact. energy: -0.940
local terms energy: -70.747978
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -12.196
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -18.023
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: 6
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -193.374108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.374108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.374108 (E_RNA)
where:
Base-Base interactions energy: -129.092
where: short stacking energy: -54.389
Base-Backbone interact. energy: 0.325
local terms energy: -64.606505
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -15.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -198.624515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.624515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.624515 (E_RNA)
where:
Base-Base interactions energy: -135.519
where: short stacking energy: -58.359
Base-Backbone interact. energy: -0.065
local terms energy: -63.040561
where:
bonds (distance) C4'-P energy: -10.399
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -15.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -165.910526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.910526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.910526 (E_RNA)
where:
Base-Base interactions energy: -109.324
where: short stacking energy: -55.718
Base-Backbone interact. energy: -0.058
local terms energy: -56.528443
where:
bonds (distance) C4'-P energy: -5.400
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -14.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -175.013298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.013298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.013298 (E_RNA)
where:
Base-Base interactions energy: -117.025
where: short stacking energy: -48.987
Base-Backbone interact. energy: -0.803
local terms energy: -57.185123
where:
bonds (distance) C4'-P energy: -13.890
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -9.664
flat angles P-C4'-P energy: -7.348
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: 9, replica: 2
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -176.014566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.014566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.014566 (E_RNA)
where:
Base-Base interactions energy: -119.636
where: short stacking energy: -49.998
Base-Backbone interact. energy: -0.453
local terms energy: -55.924967
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -9.735
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -11.734
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: 10
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -84.863595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.863595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.863595 (E_RNA)
where:
Base-Base interactions energy: -47.313
where: short stacking energy: -33.844
Base-Backbone interact. energy: 0.363
local terms energy: -37.913667
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -6.435
flat angles P-C4'-P energy: -2.747
tors. eta vs tors. theta energy: -4.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -209.654974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.654974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.654974 (E_RNA)
where:
Base-Base interactions energy: -142.719
where: short stacking energy: -66.124
Base-Backbone interact. energy: -0.004
local terms energy: -66.931819
where:
bonds (distance) C4'-P energy: -10.918
bonds (distance) P-C4' energy: -13.587
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -16.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -204.711102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.711102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.711102 (E_RNA)
where:
Base-Base interactions energy: -144.298
where: short stacking energy: -60.069
Base-Backbone interact. energy: -0.179
local terms energy: -60.233441
where:
bonds (distance) C4'-P energy: -6.630
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -13.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -206.824831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.824831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.824831 (E_RNA)
where:
Base-Base interactions energy: -139.409
where: short stacking energy: -70.960
Base-Backbone interact. energy: -0.590
local terms energy: -66.825509
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -19.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -207.307844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.307844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.307844 (E_RNA)
where:
Base-Base interactions energy: -141.616
where: short stacking energy: -59.723
Base-Backbone interact. energy: -0.001
local terms energy: -65.691049
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -12.206
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -17.802
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: 7
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -205.679493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.679493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.679493 (E_RNA)
where:
Base-Base interactions energy: -144.174
where: short stacking energy: -59.816
Base-Backbone interact. energy: -0.079
local terms energy: -61.425942
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -5.694
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: 6, replica: 5
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -188.535409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.535409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.535409 (E_RNA)
where:
Base-Base interactions energy: -127.128
where: short stacking energy: -58.925
Base-Backbone interact. energy: -0.006
local terms energy: -61.401283
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -10.968
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -18.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -182.202003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.202003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.202003 (E_RNA)
where:
Base-Base interactions energy: -129.733
where: short stacking energy: -58.238
Base-Backbone interact. energy: 1.444
local terms energy: -53.913304
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -12.276
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -4.338
tors. eta vs tors. theta energy: -10.078
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: 8, replica: 2
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -188.733650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.733650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.733650 (E_RNA)
where:
Base-Base interactions energy: -130.641
where: short stacking energy: -59.137
Base-Backbone interact. energy: -0.020
local terms energy: -58.072232
where:
bonds (distance) C4'-P energy: -6.303
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -17.648
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: 9, replica: 1
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -168.826525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.826525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.826525 (E_RNA)
where:
Base-Base interactions energy: -116.409
where: short stacking energy: -44.961
Base-Backbone interact. energy: -1.369
local terms energy: -51.048758
where:
bonds (distance) C4'-P energy: -9.825
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -10.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -73.245706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.245706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.245706 (E_RNA)
where:
Base-Base interactions energy: -30.407
where: short stacking energy: -21.975
Base-Backbone interact. energy: -0.196
local terms energy: -42.642808
where:
bonds (distance) C4'-P energy: -6.547
bonds (distance) P-C4' energy: -11.265
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -4.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -212.505368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.505368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.505368 (E_RNA)
where:
Base-Base interactions energy: -140.964
where: short stacking energy: -63.079
Base-Backbone interact. energy: -0.002
local terms energy: -71.539350
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -17.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -203.066701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.066701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.066701 (E_RNA)
where:
Base-Base interactions energy: -137.208
where: short stacking energy: -53.684
Base-Backbone interact. energy: -1.131
local terms energy: -64.727310
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -13.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -205.194825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.194825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.194825 (E_RNA)
where:
Base-Base interactions energy: -139.914
where: short stacking energy: -65.892
Base-Backbone interact. energy: -0.004
local terms energy: -65.277016
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -19.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -206.098452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.098452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.098452 (E_RNA)
where:
Base-Base interactions energy: -137.576
where: short stacking energy: -55.111
Base-Backbone interact. energy: -0.736
local terms energy: -67.786139
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -12.209
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -17.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -195.993534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.993534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.993534 (E_RNA)
where:
Base-Base interactions energy: -131.668
where: short stacking energy: -52.651
Base-Backbone interact. energy: -0.626
local terms energy: -63.699524
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -9.167
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -18.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -197.478589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.478589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.478589 (E_RNA)
where:
Base-Base interactions energy: -132.496
where: short stacking energy: -63.784
Base-Backbone interact. energy: -0.046
local terms energy: -64.936527
where:
bonds (distance) C4'-P energy: -6.658
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -12.860
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: 7, replica: 9
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -188.628232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.628232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.628232 (E_RNA)
where:
Base-Base interactions energy: -129.653
where: short stacking energy: -46.918
Base-Backbone interact. energy: -0.525
local terms energy: -58.450244
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -7.741
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: 2
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -199.216957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.216957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.216957 (E_RNA)
where:
Base-Base interactions energy: -134.806
where: short stacking energy: -58.192
Base-Backbone interact. energy: -1.150
local terms energy: -63.260591
where:
bonds (distance) C4'-P energy: -8.965
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -19.902
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: 414
Temperature: 1.300000
Total energy: -170.345440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.345440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.345440 (E_RNA)
where:
Base-Base interactions energy: -124.925
where: short stacking energy: -41.319
Base-Backbone interact. energy: -0.181
local terms energy: -45.239319
where:
bonds (distance) C4'-P energy: -7.326
bonds (distance) P-C4' energy: -12.072
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -7.608
tors. eta vs tors. theta energy: -7.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -75.693647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.693647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.693647 (E_RNA)
where:
Base-Base interactions energy: -41.071
where: short stacking energy: -23.279
Base-Backbone interact. energy: -0.574
local terms energy: -34.048690
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -9.007
flat angles C4'-P-C4' energy: -4.763
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: -2.153
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: 8
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -207.248691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.248691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.248691 (E_RNA)
where:
Base-Base interactions energy: -139.606
where: short stacking energy: -66.730
Base-Backbone interact. energy: -0.717
local terms energy: -66.925094
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -17.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -212.321567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.321567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.321567 (E_RNA)
where:
Base-Base interactions energy: -142.102
where: short stacking energy: -65.294
Base-Backbone interact. energy: -0.892
local terms energy: -69.327569
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -18.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -200.526101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.526101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.526101 (E_RNA)
where:
Base-Base interactions energy: -138.229
where: short stacking energy: -63.669
Base-Backbone interact. energy: -0.000
local terms energy: -62.297104
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -10.836
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -16.845
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: 5
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -201.058159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.058159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.058159 (E_RNA)
where:
Base-Base interactions energy: -136.040
where: short stacking energy: -60.698
Base-Backbone interact. energy: -0.817
local terms energy: -64.200933
where:
bonds (distance) C4'-P energy: -9.212
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -17.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -200.758297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.758297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.758297 (E_RNA)
where:
Base-Base interactions energy: -141.397
where: short stacking energy: -64.241
Base-Backbone interact. energy: -0.294
local terms energy: -59.067572
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -13.248
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: 415
Temperature: 1.150000
Total energy: -196.624248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.624248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.624248 (E_RNA)
where:
Base-Base interactions energy: -130.197
where: short stacking energy: -59.196
Base-Backbone interact. energy: -0.020
local terms energy: -66.407691
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -9.581
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -19.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -177.424425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.424425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.424425 (E_RNA)
where:
Base-Base interactions energy: -124.453
where: short stacking energy: -50.666
Base-Backbone interact. energy: -0.417
local terms energy: -52.555137
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -10.428
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -11.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -181.830904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.830904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.830904 (E_RNA)
where:
Base-Base interactions energy: -123.705
where: short stacking energy: -49.793
Base-Backbone interact. energy: -0.013
local terms energy: -58.113345
where:
bonds (distance) C4'-P energy: -10.679
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -11.673
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -13.975
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: 415
Temperature: 1.300000
Total energy: -169.387197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.387197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.387197 (E_RNA)
where:
Base-Base interactions energy: -118.456
where: short stacking energy: -47.543
Base-Backbone interact. energy: -0.062
local terms energy: -50.869940
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -6.651
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -7.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -73.565313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.565313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.565313 (E_RNA)
where:
Base-Base interactions energy: -30.072
where: short stacking energy: -14.401
Base-Backbone interact. energy: -0.313
local terms energy: -43.180785
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -9.711
flat angles P-C4'-P energy: -8.835
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: 3
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -215.195584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.195584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.195584 (E_RNA)
where:
Base-Base interactions energy: -143.504
where: short stacking energy: -63.435
Base-Backbone interact. energy: -0.238
local terms energy: -71.453849
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -8.319
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: 8
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -216.860036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.860036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.860036 (E_RNA)
where:
Base-Base interactions energy: -146.259
where: short stacking energy: -67.562
Base-Backbone interact. energy: -1.300
local terms energy: -69.301067
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -15.274
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: 416
Temperature: 1.000000
Total energy: -206.223849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.223849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.223849 (E_RNA)
where:
Base-Base interactions energy: -138.010
where: short stacking energy: -70.324
Base-Backbone interact. energy: -0.129
local terms energy: -68.085316
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -18.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -202.203327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.203327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.203327 (E_RNA)
where:
Base-Base interactions energy: -138.615
where: short stacking energy: -66.632
Base-Backbone interact. energy: 0.129
local terms energy: -63.717411
where:
bonds (distance) C4'-P energy: -8.455
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -18.357
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: 5, replica: 7
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -207.485937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.485937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.485937 (E_RNA)
where:
Base-Base interactions energy: -139.704
where: short stacking energy: -63.074
Base-Backbone interact. energy: -0.408
local terms energy: -67.373942
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -17.356
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: 6
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -197.851999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.851999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.851999 (E_RNA)
where:
Base-Base interactions energy: -137.263
where: short stacking energy: -63.000
Base-Backbone interact. energy: -0.000
local terms energy: -60.589375
where:
bonds (distance) C4'-P energy: -10.603
bonds (distance) P-C4' energy: -11.529
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -14.494
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: 1
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -188.500075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.500075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.500075 (E_RNA)
where:
Base-Base interactions energy: -131.281
where: short stacking energy: -46.813
Base-Backbone interact. energy: 0.717
local terms energy: -57.936316
where:
bonds (distance) C4'-P energy: -10.855
bonds (distance) P-C4' energy: -10.830
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -16.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -173.936505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.936505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.936505 (E_RNA)
where:
Base-Base interactions energy: -121.778
where: short stacking energy: -51.363
Base-Backbone interact. energy: -0.770
local terms energy: -51.388641
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -9.550
flat angles C4'-P-C4' energy: -9.616
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -13.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -178.459854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.459854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.459854 (E_RNA)
where:
Base-Base interactions energy: -133.382
where: short stacking energy: -50.594
Base-Backbone interact. energy: 0.071
local terms energy: -45.149166
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -8.989
flat angles C4'-P-C4' energy: -10.121
flat angles P-C4'-P energy: -3.737
tors. eta vs tors. theta energy: -9.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -81.261987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.261987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.261987 (E_RNA)
where:
Base-Base interactions energy: -42.580
where: short stacking energy: -12.746
Base-Backbone interact. energy: 0.175
local terms energy: -38.857770
where:
bonds (distance) C4'-P energy: -10.146
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -9.409
flat angles P-C4'-P energy: -5.549
tors. eta vs tors. theta energy: -1.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -217.315983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.315983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.315983 (E_RNA)
where:
Base-Base interactions energy: -142.531
where: short stacking energy: -69.301
Base-Backbone interact. energy: -0.020
local terms energy: -74.765220
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -20.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -208.665101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.665101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.665101 (E_RNA)
where:
Base-Base interactions energy: -138.950
where: short stacking energy: -65.164
Base-Backbone interact. energy: -0.028
local terms energy: -69.687168
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -18.838
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: 5
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -204.541707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.541707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.541707 (E_RNA)
where:
Base-Base interactions energy: -136.355
where: short stacking energy: -66.727
Base-Backbone interact. energy: -0.078
local terms energy: -68.108541
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -5.654
tors. eta vs tors. theta energy: -19.893
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: 7
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -202.166473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.166473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.166473 (E_RNA)
where:
Base-Base interactions energy: -137.649
where: short stacking energy: -58.400
Base-Backbone interact. energy: -0.340
local terms energy: -64.177128
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -5.459
tors. eta vs tors. theta energy: -15.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -193.354990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.354990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.354990 (E_RNA)
where:
Base-Base interactions energy: -134.430
where: short stacking energy: -49.774
Base-Backbone interact. energy: -0.029
local terms energy: -58.895950
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: -13.731
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: 6
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -199.906173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.906173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.906173 (E_RNA)
where:
Base-Base interactions energy: -138.431
where: short stacking energy: -65.511
Base-Backbone interact. energy: -0.001
local terms energy: -61.473614
where:
bonds (distance) C4'-P energy: -10.135
bonds (distance) P-C4' energy: -7.958
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -19.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -191.904481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.904481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.904481 (E_RNA)
where:
Base-Base interactions energy: -126.575
where: short stacking energy: -50.066
Base-Backbone interact. energy: -0.560
local terms energy: -64.769383
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -17.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -177.219912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.219912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.219912 (E_RNA)
where:
Base-Base interactions energy: -116.756
where: short stacking energy: -45.893
Base-Backbone interact. energy: -0.677
local terms energy: -59.786924
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -13.285
flat angles C4'-P-C4' energy: -11.297
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -11.143
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: 2
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -160.060953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.060953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.060953 (E_RNA)
where:
Base-Base interactions energy: -107.822
where: short stacking energy: -43.960
Base-Backbone interact. energy: -1.029
local terms energy: -51.209973
where:
bonds (distance) C4'-P energy: -10.257
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -9.580
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -9.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -72.955118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.955118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.955118 (E_RNA)
where:
Base-Base interactions energy: -26.033
where: short stacking energy: -26.033
Base-Backbone interact. energy: -0.000
local terms energy: -46.921291
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -9.611
flat angles P-C4'-P energy: -5.098
tors. eta vs tors. theta energy: -3.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -216.521971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.521971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.521971 (E_RNA)
where:
Base-Base interactions energy: -145.366
where: short stacking energy: -64.120
Base-Backbone interact. energy: -0.003
local terms energy: -71.153039
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -19.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -207.149397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.149397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.149397 (E_RNA)
where:
Base-Base interactions energy: -140.951
where: short stacking energy: -62.455
Base-Backbone interact. energy: -0.575
local terms energy: -65.623256
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -10.908
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: 3, replica: 5
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -206.523379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.523379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.523379 (E_RNA)
where:
Base-Base interactions energy: -143.030
where: short stacking energy: -64.247
Base-Backbone interact. energy: -0.003
local terms energy: -63.489605
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -5.434
tors. eta vs tors. theta energy: -18.297
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: 418
Temperature: 1.050000
Total energy: -198.348472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.348472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.348472 (E_RNA)
where:
Base-Base interactions energy: -140.388
where: short stacking energy: -48.970
Base-Backbone interact. energy: -0.073
local terms energy: -57.887903
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -10.514
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -9.713
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: 5, replica: 4
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -189.601278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.601278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.601278 (E_RNA)
where:
Base-Base interactions energy: -127.916
where: short stacking energy: -59.915
Base-Backbone interact. energy: -0.976
local terms energy: -60.708831
where:
bonds (distance) C4'-P energy: -11.377
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -9.516
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -15.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -203.905852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.905852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.905852 (E_RNA)
where:
Base-Base interactions energy: -132.265
where: short stacking energy: -62.013
Base-Backbone interact. energy: -0.004
local terms energy: -71.636510
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -19.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -195.440663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.440663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.440663 (E_RNA)
where:
Base-Base interactions energy: -132.209
where: short stacking energy: -59.120
Base-Backbone interact. energy: -0.028
local terms energy: -63.203203
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -10.179
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -14.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -176.826357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.826357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.826357 (E_RNA)
where:
Base-Base interactions energy: -122.509
where: short stacking energy: -52.795
Base-Backbone interact. energy: -0.099
local terms energy: -54.218460
where:
bonds (distance) C4'-P energy: -11.482
bonds (distance) P-C4' energy: -10.374
flat angles C4'-P-C4' energy: -10.443
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -13.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -174.634690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.634690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.634690 (E_RNA)
where:
Base-Base interactions energy: -121.094
where: short stacking energy: -46.634
Base-Backbone interact. energy: -0.103
local terms energy: -53.438418
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -8.788
flat angles C4'-P-C4' energy: -11.580
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -12.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -69.064361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.064361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.064361 (E_RNA)
where:
Base-Base interactions energy: -29.789
where: short stacking energy: -28.361
Base-Backbone interact. energy: -0.106
local terms energy: -39.169494
where:
bonds (distance) C4'-P energy: -5.977
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -6.619
tors. eta vs tors. theta energy: -2.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -215.011464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.011464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.011464 (E_RNA)
where:
Base-Base interactions energy: -146.151
where: short stacking energy: -63.539
Base-Backbone interact. energy: -0.042
local terms energy: -68.818637
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -18.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -196.838830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.838830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.838830 (E_RNA)
where:
Base-Base interactions energy: -138.454
where: short stacking energy: -61.767
Base-Backbone interact. energy: -0.059
local terms energy: -58.325642
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -12.987
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -13.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -204.206008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.206008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.206008 (E_RNA)
where:
Base-Base interactions energy: -138.354
where: short stacking energy: -57.531
Base-Backbone interact. energy: -0.028
local terms energy: -65.823443
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -13.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -206.220495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.220495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.220495 (E_RNA)
where:
Base-Base interactions energy: -136.156
where: short stacking energy: -64.319
Base-Backbone interact. energy: 1.100
local terms energy: -71.164427
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -17.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -203.150394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.150394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.150394 (E_RNA)
where:
Base-Base interactions energy: -131.436
where: short stacking energy: -61.102
Base-Backbone interact. energy: -0.008
local terms energy: -71.706396
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -17.076
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: 1
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -200.145079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.145079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.145079 (E_RNA)
where:
Base-Base interactions energy: -135.129
where: short stacking energy: -62.712
Base-Backbone interact. energy: -0.610
local terms energy: -64.406224
where:
bonds (distance) C4'-P energy: -9.603
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -15.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -187.015630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.015630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.015630 (E_RNA)
where:
Base-Base interactions energy: -124.323
where: short stacking energy: -51.333
Base-Backbone interact. energy: -0.323
local terms energy: -62.369407
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -11.614
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -15.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -178.673196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.673196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.673196 (E_RNA)
where:
Base-Base interactions energy: -118.532
where: short stacking energy: -51.541
Base-Backbone interact. energy: -0.108
local terms energy: -60.033760
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -12.614
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: 9
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -178.879385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.879385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.879385 (E_RNA)
where:
Base-Base interactions energy: -124.370
where: short stacking energy: -49.417
Base-Backbone interact. energy: -0.078
local terms energy: -54.431584
where:
bonds (distance) C4'-P energy: -8.866
bonds (distance) P-C4' energy: -10.270
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -14.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -75.210505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.210505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.210505 (E_RNA)
where:
Base-Base interactions energy: -27.407
where: short stacking energy: -27.407
Base-Backbone interact. energy: -0.006
local terms energy: -47.797811
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -10.016
flat angles P-C4'-P energy: -6.644
tors. eta vs tors. theta energy: -6.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -205.871438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.871438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.871438 (E_RNA)
where:
Base-Base interactions energy: -143.127
where: short stacking energy: -60.385
Base-Backbone interact. energy: 0.842
local terms energy: -63.587106
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -12.623
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: 420
Temperature: 0.950000
Total energy: -211.799313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.799313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.799313 (E_RNA)
where:
Base-Base interactions energy: -146.295
where: short stacking energy: -66.127
Base-Backbone interact. energy: -0.294
local terms energy: -65.210426
where:
bonds (distance) C4'-P energy: -9.346
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: -19.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -201.374120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.374120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.374120 (E_RNA)
where:
Base-Base interactions energy: -135.096
where: short stacking energy: -54.137
Base-Backbone interact. energy: 0.981
local terms energy: -67.258511
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -15.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -196.813894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.813894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.813894 (E_RNA)
where:
Base-Base interactions energy: -131.881
where: short stacking energy: -55.273
Base-Backbone interact. energy: -0.000
local terms energy: -64.932980
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -11.958
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -17.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -197.779000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.779000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.779000 (E_RNA)
where:
Base-Base interactions energy: -135.565
where: short stacking energy: -57.456
Base-Backbone interact. energy: -0.299
local terms energy: -61.915278
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -11.365
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -14.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -198.589005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.589005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.589005 (E_RNA)
where:
Base-Base interactions energy: -130.515
where: short stacking energy: -62.997
Base-Backbone interact. energy: -0.044
local terms energy: -68.030244
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -16.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -171.941413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.941413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.941413 (E_RNA)
where:
Base-Base interactions energy: -120.080
where: short stacking energy: -50.861
Base-Backbone interact. energy: -0.697
local terms energy: -51.164474
where:
bonds (distance) C4'-P energy: -9.405
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -5.077
tors. eta vs tors. theta energy: -11.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -172.827034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.827034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.827034 (E_RNA)
where:
Base-Base interactions energy: -113.618
where: short stacking energy: -45.653
Base-Backbone interact. energy: -0.141
local terms energy: -59.068306
where:
bonds (distance) C4'-P energy: -7.871
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -13.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -174.372369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.372369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.372369 (E_RNA)
where:
Base-Base interactions energy: -121.371
where: short stacking energy: -51.024
Base-Backbone interact. energy: 0.046
local terms energy: -53.047653
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -10.290
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -6.492
tors. eta vs tors. theta energy: -10.517
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: 10
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -68.617740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.617740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.617740 (E_RNA)
where:
Base-Base interactions energy: -25.852
where: short stacking energy: -25.852
Base-Backbone interact. energy: 0.287
local terms energy: -43.052737
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -11.897
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -6.510
tors. eta vs tors. theta energy: -2.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -209.435641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.435641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.435641 (E_RNA)
where:
Base-Base interactions energy: -137.586
where: short stacking energy: -62.070
Base-Backbone interact. energy: -0.247
local terms energy: -71.602893
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -18.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -208.024572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.024572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.024572 (E_RNA)
where:
Base-Base interactions energy: -140.116
where: short stacking energy: -63.356
Base-Backbone interact. energy: -0.006
local terms energy: -67.902147
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -11.935
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -19.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -203.234629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.234629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.234629 (E_RNA)
where:
Base-Base interactions energy: -136.136
where: short stacking energy: -65.241
Base-Backbone interact. energy: -1.035
local terms energy: -66.062994
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -17.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -206.645329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.645329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.645329 (E_RNA)
where:
Base-Base interactions energy: -136.451
where: short stacking energy: -61.377
Base-Backbone interact. energy: -0.011
local terms energy: -70.182981
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -16.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -206.479156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.479156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.479156 (E_RNA)
where:
Base-Base interactions energy: -141.355
where: short stacking energy: -67.111
Base-Backbone interact. energy: -1.971
local terms energy: -63.153077
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -10.797
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -8.184
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: 6, replica: 6
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -187.630945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.630945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.630945 (E_RNA)
where:
Base-Base interactions energy: -122.487
where: short stacking energy: -56.069
Base-Backbone interact. energy: -0.028
local terms energy: -65.115790
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -12.192
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -16.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -175.750618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.750618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.750618 (E_RNA)
where:
Base-Base interactions energy: -117.227
where: short stacking energy: -49.309
Base-Backbone interact. energy: -0.659
local terms energy: -57.864119
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -7.932
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: 8, replica: 9
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -191.442678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.442678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.442678 (E_RNA)
where:
Base-Base interactions energy: -129.714
where: short stacking energy: -54.138
Base-Backbone interact. energy: -0.394
local terms energy: -61.333957
where:
bonds (distance) C4'-P energy: -6.386
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -14.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -160.648930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.648930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.648930 (E_RNA)
where:
Base-Base interactions energy: -107.016
where: short stacking energy: -37.054
Base-Backbone interact. energy: -0.189
local terms energy: -53.443459
where:
bonds (distance) C4'-P energy: -10.251
bonds (distance) P-C4' energy: -10.677
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -4.524
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: 10, replica: 10
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -118.019322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.019322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.019322 (E_RNA)
where:
Base-Base interactions energy: -67.365
where: short stacking energy: -30.213
Base-Backbone interact. energy: 0.088
local terms energy: -50.742933
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -11.867
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -8.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -212.143003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.143003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.143003 (E_RNA)
where:
Base-Base interactions energy: -146.647
where: short stacking energy: -69.905
Base-Backbone interact. energy: -0.617
local terms energy: -64.878493
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -10.119
flat angles P-C4'-P energy: -11.663
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: 2, replica: 5
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -207.324992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.324992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.324992 (E_RNA)
where:
Base-Base interactions energy: -143.449
where: short stacking energy: -66.919
Base-Backbone interact. energy: -0.781
local terms energy: -63.095500
where:
bonds (distance) C4'-P energy: -9.308
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -17.902
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: 8
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -209.334484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.334484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.334484 (E_RNA)
where:
Base-Base interactions energy: -139.604
where: short stacking energy: -59.089
Base-Backbone interact. energy: -0.000
local terms energy: -69.730249
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -11.708
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: 4, replica: 3
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -202.769751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.769751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.769751 (E_RNA)
where:
Base-Base interactions energy: -134.043
where: short stacking energy: -65.850
Base-Backbone interact. energy: -0.285
local terms energy: -68.441544
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -17.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -195.159690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.159690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.159690 (E_RNA)
where:
Base-Base interactions energy: -132.724
where: short stacking energy: -57.344
Base-Backbone interact. energy: -0.099
local terms energy: -62.336197
where:
bonds (distance) C4'-P energy: -9.325
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -15.739
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: 6
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -192.218910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.218910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.218910 (E_RNA)
where:
Base-Base interactions energy: -131.189
where: short stacking energy: -58.981
Base-Backbone interact. energy: -0.101
local terms energy: -60.929538
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -7.119
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -14.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -190.079318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.079318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.079318 (E_RNA)
where:
Base-Base interactions energy: -125.581
where: short stacking energy: -55.301
Base-Backbone interact. energy: -0.067
local terms energy: -64.431510
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -15.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -178.798253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.798253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.798253 (E_RNA)
where:
Base-Base interactions energy: -125.084
where: short stacking energy: -55.652
Base-Backbone interact. energy: -0.784
local terms energy: -52.930167
where:
bonds (distance) C4'-P energy: -9.097
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -10.986
flat angles P-C4'-P energy: -5.241
tors. eta vs tors. theta energy: -12.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -178.485475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.485475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.485475 (E_RNA)
where:
Base-Base interactions energy: -126.608
where: short stacking energy: -62.302
Base-Backbone interact. energy: -0.003
local terms energy: -51.874738
where:
bonds (distance) C4'-P energy: -7.880
bonds (distance) P-C4' energy: -10.321
flat angles C4'-P-C4' energy: -9.150
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -16.627
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: 10
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -69.454796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.454796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.454796 (E_RNA)
where:
Base-Base interactions energy: -22.386
where: short stacking energy: -22.386
Base-Backbone interact. energy: -0.154
local terms energy: -46.914537
where:
bonds (distance) C4'-P energy: -6.480
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -11.577
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -4.506
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: 4
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -211.799552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.799552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.799552 (E_RNA)
where:
Base-Base interactions energy: -143.230
where: short stacking energy: -69.016
Base-Backbone interact. energy: -1.110
local terms energy: -67.459529
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -18.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -205.239316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.239316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.239316 (E_RNA)
where:
Base-Base interactions energy: -141.933
where: short stacking energy: -62.232
Base-Backbone interact. energy: -0.016
local terms energy: -63.289641
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -14.711
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: 5
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -205.884166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.884166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.884166 (E_RNA)
where:
Base-Base interactions energy: -137.917
where: short stacking energy: -62.012
Base-Backbone interact. energy: -0.368
local terms energy: -67.599421
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -7.280
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: 4, replica: 1
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -202.992976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.992976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.992976 (E_RNA)
where:
Base-Base interactions energy: -137.982
where: short stacking energy: -62.807
Base-Backbone interact. energy: -0.054
local terms energy: -64.957901
where:
bonds (distance) C4'-P energy: -10.430
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -12.218
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: 423
Temperature: 1.100000
Total energy: -188.932438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.932438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.932438 (E_RNA)
where:
Base-Base interactions energy: -127.312
where: short stacking energy: -56.585
Base-Backbone interact. energy: -0.154
local terms energy: -61.466967
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -12.575
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -15.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -196.480766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.480766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.480766 (E_RNA)
where:
Base-Base interactions energy: -133.047
where: short stacking energy: -57.040
Base-Backbone interact. energy: -0.534
local terms energy: -62.899195
where:
bonds (distance) C4'-P energy: -9.309
bonds (distance) P-C4' energy: -12.382
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -17.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -189.130251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.130251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.130251 (E_RNA)
where:
Base-Base interactions energy: -132.976
where: short stacking energy: -58.649
Base-Backbone interact. energy: 0.500
local terms energy: -56.653781
where:
bonds (distance) C4'-P energy: -6.813
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -10.405
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -16.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -182.698615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.698615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.698615 (E_RNA)
where:
Base-Base interactions energy: -131.118
where: short stacking energy: -52.974
Base-Backbone interact. energy: 0.876
local terms energy: -52.457035
where:
bonds (distance) C4'-P energy: -7.921
bonds (distance) P-C4' energy: -12.761
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -12.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -182.955618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.955618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.955618 (E_RNA)
where:
Base-Base interactions energy: -124.264
where: short stacking energy: -53.082
Base-Backbone interact. energy: -0.070
local terms energy: -58.621281
where:
bonds (distance) C4'-P energy: -9.114
bonds (distance) P-C4' energy: -10.286
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -10.803
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: 10, replica: 10
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -67.567809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.567809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.567809 (E_RNA)
where:
Base-Base interactions energy: -29.127
where: short stacking energy: -29.127
Base-Backbone interact. energy: -0.333
local terms energy: -38.107303
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -11.140
flat angles C4'-P-C4' energy: -6.887
flat angles P-C4'-P energy: -5.192
tors. eta vs tors. theta energy: -3.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -215.023252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.023252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.023252 (E_RNA)
where:
Base-Base interactions energy: -145.371
where: short stacking energy: -65.638
Base-Backbone interact. energy: -0.127
local terms energy: -69.524657
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -18.672
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: 2, replica: 4
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -206.661380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.661380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.661380 (E_RNA)
where:
Base-Base interactions energy: -139.690
where: short stacking energy: -59.807
Base-Backbone interact. energy: 0.277
local terms energy: -67.248468
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -15.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -209.151335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.151335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.151335 (E_RNA)
where:
Base-Base interactions energy: -142.710
where: short stacking energy: -56.842
Base-Backbone interact. energy: -0.131
local terms energy: -66.310273
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -7.949
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: 4, replica: 5
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -206.256559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.256559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.256559 (E_RNA)
where:
Base-Base interactions energy: -141.250
where: short stacking energy: -67.145
Base-Backbone interact. energy: -0.486
local terms energy: -64.520048
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -7.018
tors. eta vs tors. theta energy: -17.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -208.008640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.008640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.008640 (E_RNA)
where:
Base-Base interactions energy: -144.518
where: short stacking energy: -50.666
Base-Backbone interact. energy: -0.017
local terms energy: -63.473511
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -13.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -195.052136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.052136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.052136 (E_RNA)
where:
Base-Base interactions energy: -132.988
where: short stacking energy: -64.401
Base-Backbone interact. energy: -0.003
local terms energy: -62.061593
where:
bonds (distance) C4'-P energy: -9.359
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -16.350
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: 9
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -196.908400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.908400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.908400 (E_RNA)
where:
Base-Base interactions energy: -136.687
where: short stacking energy: -56.738
Base-Backbone interact. energy: -0.068
local terms energy: -60.154246
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -11.618
flat angles C4'-P-C4' energy: -11.286
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -13.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -182.394811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.394811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.394811 (E_RNA)
where:
Base-Base interactions energy: -129.103
where: short stacking energy: -57.224
Base-Backbone interact. energy: -0.001
local terms energy: -53.291106
where:
bonds (distance) C4'-P energy: -3.765
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -13.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -188.917657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.917657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.917657 (E_RNA)
where:
Base-Base interactions energy: -128.322
where: short stacking energy: -54.588
Base-Backbone interact. energy: -0.919
local terms energy: -59.676963
where:
bonds (distance) C4'-P energy: -6.679
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -7.921
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: 10, replica: 10
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -68.313882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.313882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.313882 (E_RNA)
where:
Base-Base interactions energy: -23.388
where: short stacking energy: -19.874
Base-Backbone interact. energy: -0.208
local terms energy: -44.718291
where:
bonds (distance) C4'-P energy: -10.075
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -9.690
flat angles P-C4'-P energy: -6.484
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: 1, replica: 8
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -212.017071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.017071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.017071 (E_RNA)
where:
Base-Base interactions energy: -150.346
where: short stacking energy: -69.971
Base-Backbone interact. energy: -0.002
local terms energy: -61.668592
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -19.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -206.311811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.311811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.311811 (E_RNA)
where:
Base-Base interactions energy: -141.623
where: short stacking energy: -63.498
Base-Backbone interact. energy: -0.109
local terms energy: -64.580361
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -15.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -205.186880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.186880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.186880 (E_RNA)
where:
Base-Base interactions energy: -137.320
where: short stacking energy: -68.123
Base-Backbone interact. energy: -0.166
local terms energy: -67.700605
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -19.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -203.072213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.072213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.072213 (E_RNA)
where:
Base-Base interactions energy: -132.075
where: short stacking energy: -59.262
Base-Backbone interact. energy: -0.828
local terms energy: -70.168464
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -17.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -194.352583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.352583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.352583 (E_RNA)
where:
Base-Base interactions energy: -135.597
where: short stacking energy: -65.453
Base-Backbone interact. energy: -0.011
local terms energy: -58.744231
where:
bonds (distance) C4'-P energy: -7.364
bonds (distance) P-C4' energy: -9.468
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -16.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -183.413376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.413376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.413376 (E_RNA)
where:
Base-Base interactions energy: -132.142
where: short stacking energy: -55.962
Base-Backbone interact. energy: -0.152
local terms energy: -51.118656
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -11.885
flat angles C4'-P-C4' energy: -8.885
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -11.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -189.072378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.072378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.072378 (E_RNA)
where:
Base-Base interactions energy: -129.303
where: short stacking energy: -58.827
Base-Backbone interact. energy: -0.819
local terms energy: -58.949826
where:
bonds (distance) C4'-P energy: -7.815
bonds (distance) P-C4' energy: -11.751
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -16.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -181.212647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.212647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.212647 (E_RNA)
where:
Base-Base interactions energy: -128.806
where: short stacking energy: -45.697
Base-Backbone interact. energy: -0.970
local terms energy: -51.436567
where:
bonds (distance) C4'-P energy: -9.234
bonds (distance) P-C4' energy: -11.234
flat angles C4'-P-C4' energy: -11.135
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -12.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -186.217756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.217756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.217756 (E_RNA)
where:
Base-Base interactions energy: -128.873
where: short stacking energy: -50.322
Base-Backbone interact. energy: 0.013
local terms energy: -57.357768
where:
bonds (distance) C4'-P energy: -8.529
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -13.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -69.172151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.172151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.172151 (E_RNA)
where:
Base-Base interactions energy: -33.642
where: short stacking energy: -23.769
Base-Backbone interact. energy: -0.150
local terms energy: -35.380732
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -10.080
flat angles C4'-P-C4' energy: -4.119
flat angles P-C4'-P energy: -6.863
tors. eta vs tors. theta energy: -3.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -216.049563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.049563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.049563 (E_RNA)
where:
Base-Base interactions energy: -146.371
where: short stacking energy: -69.875
Base-Backbone interact. energy: -0.000
local terms energy: -69.678262
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -10.672
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -20.475
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: 4
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -212.492435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.492435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.492435 (E_RNA)
where:
Base-Base interactions energy: -144.333
where: short stacking energy: -67.288
Base-Backbone interact. energy: 0.181
local terms energy: -68.340524
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -11.867
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -18.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -209.699319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.699319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.699319 (E_RNA)
where:
Base-Base interactions energy: -144.678
where: short stacking energy: -57.365
Base-Backbone interact. energy: -0.099
local terms energy: -64.921930
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -14.904
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: 5
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -197.867058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.867058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.867058 (E_RNA)
where:
Base-Base interactions energy: -136.502
where: short stacking energy: -54.759
Base-Backbone interact. energy: -0.331
local terms energy: -61.034362
where:
bonds (distance) C4'-P energy: -8.555
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -15.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -193.344225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.344225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.344225 (E_RNA)
where:
Base-Base interactions energy: -127.972
where: short stacking energy: -55.627
Base-Backbone interact. energy: -0.588
local terms energy: -64.784543
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -12.537
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -15.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -198.151396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.151396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.151396 (E_RNA)
where:
Base-Base interactions energy: -136.532
where: short stacking energy: -60.527
Base-Backbone interact. energy: -0.059
local terms energy: -61.560517
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -4.863
tors. eta vs tors. theta energy: -17.793
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: 7
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -184.616477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.616477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.616477 (E_RNA)
where:
Base-Base interactions energy: -125.293
where: short stacking energy: -57.352
Base-Backbone interact. energy: -0.280
local terms energy: -59.043570
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -8.093
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -17.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -188.376004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.376004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.376004 (E_RNA)
where:
Base-Base interactions energy: -125.527
where: short stacking energy: -47.681
Base-Backbone interact. energy: 0.394
local terms energy: -63.242311
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -15.305
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: 2
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -183.401229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.401229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.401229 (E_RNA)
where:
Base-Base interactions energy: -125.216
where: short stacking energy: -54.431
Base-Backbone interact. energy: -0.488
local terms energy: -57.696715
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -10.777
flat angles C4'-P-C4' energy: -8.984
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -15.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -72.200407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.200407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.200407 (E_RNA)
where:
Base-Base interactions energy: -34.827
where: short stacking energy: -28.988
Base-Backbone interact. energy: -0.108
local terms energy: -37.265406
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -9.523
flat angles C4'-P-C4' energy: -6.362
flat angles P-C4'-P energy: -5.301
tors. eta vs tors. theta energy: -5.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -217.654219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.654219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.654219 (E_RNA)
where:
Base-Base interactions energy: -147.417
where: short stacking energy: -71.088
Base-Backbone interact. energy: -0.797
local terms energy: -69.440368
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -9.987
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: 2, replica: 4
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -211.402372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.402372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.402372 (E_RNA)
where:
Base-Base interactions energy: -142.792
where: short stacking energy: -65.631
Base-Backbone interact. energy: -0.401
local terms energy: -68.210194
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -19.500
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: 1
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -203.515537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.515537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.515537 (E_RNA)
where:
Base-Base interactions energy: -139.043
where: short stacking energy: -55.895
Base-Backbone interact. energy: -0.414
local terms energy: -64.059060
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -14.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -200.925051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.925051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.925051 (E_RNA)
where:
Base-Base interactions energy: -137.185
where: short stacking energy: -62.122
Base-Backbone interact. energy: -0.001
local terms energy: -63.739056
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -9.447
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: 5, replica: 5
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -200.805729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.805729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.805729 (E_RNA)
where:
Base-Base interactions energy: -137.324
where: short stacking energy: -59.714
Base-Backbone interact. energy: -0.367
local terms energy: -63.115589
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -12.063
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -15.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -191.616824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.616824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.616824 (E_RNA)
where:
Base-Base interactions energy: -133.296
where: short stacking energy: -56.737
Base-Backbone interact. energy: -0.294
local terms energy: -58.026505
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -6.628
tors. eta vs tors. theta energy: -13.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -192.808866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.808866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.808866 (E_RNA)
where:
Base-Base interactions energy: -130.813
where: short stacking energy: -56.520
Base-Backbone interact. energy: -0.001
local terms energy: -61.994877
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -10.308
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -17.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -177.871634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.871634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.871634 (E_RNA)
where:
Base-Base interactions energy: -117.135
where: short stacking energy: -47.181
Base-Backbone interact. energy: -0.891
local terms energy: -59.846358
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -10.145
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: 9, replica: 3
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -161.305343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.305343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.305343 (E_RNA)
where:
Base-Base interactions energy: -117.618
where: short stacking energy: -47.063
Base-Backbone interact. energy: -0.725
local terms energy: -42.962742
where:
bonds (distance) C4'-P energy: -9.167
bonds (distance) P-C4' energy: -6.248
flat angles C4'-P-C4' energy: -9.677
flat angles P-C4'-P energy: -7.838
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: 10, replica: 10
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -74.065538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.065538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.065538 (E_RNA)
where:
Base-Base interactions energy: -33.516
where: short stacking energy: -22.488
Base-Backbone interact. energy: -0.075
local terms energy: -40.474671
where:
bonds (distance) C4'-P energy: -7.255
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -8.481
flat angles P-C4'-P energy: -4.928
tors. eta vs tors. theta energy: -6.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -207.182536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.182536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.182536 (E_RNA)
where:
Base-Base interactions energy: -138.088
where: short stacking energy: -64.480
Base-Backbone interact. energy: -0.850
local terms energy: -68.244544
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -15.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -217.776790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.776790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.776790 (E_RNA)
where:
Base-Base interactions energy: -146.029
where: short stacking energy: -69.177
Base-Backbone interact. energy: -1.379
local terms energy: -70.369139
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -17.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -187.648135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.648135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.648135 (E_RNA)
where:
Base-Base interactions energy: -128.817
where: short stacking energy: -55.827
Base-Backbone interact. energy: -0.087
local terms energy: -58.743998
where:
bonds (distance) C4'-P energy: -9.809
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -14.568
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: 1
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -199.586998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.586998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.586998 (E_RNA)
where:
Base-Base interactions energy: -128.781
where: short stacking energy: -60.486
Base-Backbone interact. energy: -0.001
local terms energy: -70.804747
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -18.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -182.623483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.623483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.623483 (E_RNA)
where:
Base-Base interactions energy: -127.522
where: short stacking energy: -60.046
Base-Backbone interact. energy: -0.315
local terms energy: -54.787165
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -9.305
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -10.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -194.663783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.663783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.663783 (E_RNA)
where:
Base-Base interactions energy: -138.950
where: short stacking energy: -60.651
Base-Backbone interact. energy: -0.016
local terms energy: -55.697525
where:
bonds (distance) C4'-P energy: -4.497
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -16.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -186.448844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.448844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.448844 (E_RNA)
where:
Base-Base interactions energy: -133.292
where: short stacking energy: -50.882
Base-Backbone interact. energy: -0.414
local terms energy: -52.742409
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -7.497
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -10.219
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: 6
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -177.986730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.986730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.986730 (E_RNA)
where:
Base-Base interactions energy: -131.476
where: short stacking energy: -56.691
Base-Backbone interact. energy: -0.475
local terms energy: -46.035859
where:
bonds (distance) C4'-P energy: -6.100
bonds (distance) P-C4' energy: -5.551
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -5.701
tors. eta vs tors. theta energy: -15.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -160.795044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.795044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.795044 (E_RNA)
where:
Base-Base interactions energy: -109.850
where: short stacking energy: -43.004
Base-Backbone interact. energy: -0.571
local terms energy: -50.373203
where:
bonds (distance) C4'-P energy: -6.687
bonds (distance) P-C4' energy: -10.796
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -9.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -64.140264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.140264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.140264 (E_RNA)
where:
Base-Base interactions energy: -31.448
where: short stacking energy: -29.786
Base-Backbone interact. energy: -0.335
local terms energy: -32.357559
where:
bonds (distance) C4'-P energy: -7.301
bonds (distance) P-C4' energy: -7.751
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: 2.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -211.729462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.729462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.729462 (E_RNA)
where:
Base-Base interactions energy: -144.595
where: short stacking energy: -69.133
Base-Backbone interact. energy: -0.417
local terms energy: -66.717958
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -11.599
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -19.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -209.283604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.283604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.283604 (E_RNA)
where:
Base-Base interactions energy: -148.618
where: short stacking energy: -59.782
Base-Backbone interact. energy: -0.002
local terms energy: -60.663663
where:
bonds (distance) C4'-P energy: -10.519
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: -16.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -201.063049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.063049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.063049 (E_RNA)
where:
Base-Base interactions energy: -133.246
where: short stacking energy: -61.513
Base-Backbone interact. energy: -1.138
local terms energy: -66.679644
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -11.956
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -19.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -192.853522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.853522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.853522 (E_RNA)
where:
Base-Base interactions energy: -129.905
where: short stacking energy: -55.344
Base-Backbone interact. energy: -0.137
local terms energy: -62.812245
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -11.384
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: 1
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -183.286417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.286417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.286417 (E_RNA)
where:
Base-Base interactions energy: -133.965
where: short stacking energy: -53.401
Base-Backbone interact. energy: -0.269
local terms energy: -49.051909
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -10.538
flat angles C4'-P-C4' energy: -9.474
flat angles P-C4'-P energy: -5.330
tors. eta vs tors. theta energy: -10.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -194.905906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.905906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.905906 (E_RNA)
where:
Base-Base interactions energy: -127.800
where: short stacking energy: -59.982
Base-Backbone interact. energy: 0.143
local terms energy: -67.249241
where:
bonds (distance) C4'-P energy: -11.034
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -17.810
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: 5
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -187.479303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.479303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.479303 (E_RNA)
where:
Base-Base interactions energy: -128.744
where: short stacking energy: -51.733
Base-Backbone interact. energy: -0.004
local terms energy: -58.731576
where:
bonds (distance) C4'-P energy: -7.912
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -14.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -181.652945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.652945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.652945 (E_RNA)
where:
Base-Base interactions energy: -120.718
where: short stacking energy: -48.246
Base-Backbone interact. energy: -0.029
local terms energy: -60.905560
where:
bonds (distance) C4'-P energy: -8.385
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -13.829
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: 6
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -176.677461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.677461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.677461 (E_RNA)
where:
Base-Base interactions energy: -123.481
where: short stacking energy: -55.437
Base-Backbone interact. energy: -0.170
local terms energy: -53.026559
where:
bonds (distance) C4'-P energy: -10.137
bonds (distance) P-C4' energy: -9.037
flat angles C4'-P-C4' energy: -9.885
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -13.015
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: 10
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -75.890449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.890449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.890449 (E_RNA)
where:
Base-Base interactions energy: -31.123
where: short stacking energy: -20.293
Base-Backbone interact. energy: -0.040
local terms energy: -44.727334
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -12.730
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -6.470
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: 1, replica: 8
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -211.063465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.063465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.063465 (E_RNA)
where:
Base-Base interactions energy: -149.499
where: short stacking energy: -61.952
Base-Backbone interact. energy: -0.694
local terms energy: -60.870608
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -9.773
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -14.794
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: 430
Temperature: 0.950000
Total energy: -206.000794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.000794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.000794 (E_RNA)
where:
Base-Base interactions energy: -136.563
where: short stacking energy: -62.966
Base-Backbone interact. energy: -0.040
local terms energy: -69.397598
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -18.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -202.464409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.464409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.464409 (E_RNA)
where:
Base-Base interactions energy: -134.797
where: short stacking energy: -59.029
Base-Backbone interact. energy: -0.002
local terms energy: -67.664906
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -15.489
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: 9
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -189.391705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.391705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.391705 (E_RNA)
where:
Base-Base interactions energy: -127.546
where: short stacking energy: -53.687
Base-Backbone interact. energy: -0.082
local terms energy: -61.763352
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -14.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -195.737319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.737319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.737319 (E_RNA)
where:
Base-Base interactions energy: -130.086
where: short stacking energy: -63.380
Base-Backbone interact. energy: -0.003
local terms energy: -65.648250
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -5.048
tors. eta vs tors. theta energy: -19.995
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: 430
Temperature: 1.150000
Total energy: -198.033064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.033064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.033064 (E_RNA)
where:
Base-Base interactions energy: -129.573
where: short stacking energy: -58.162
Base-Backbone interact. energy: -0.001
local terms energy: -68.458665
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -18.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -190.369581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.369581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.369581 (E_RNA)
where:
Base-Base interactions energy: -133.615
where: short stacking energy: -50.991
Base-Backbone interact. energy: -0.576
local terms energy: -56.179083
where:
bonds (distance) C4'-P energy: -3.769
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -14.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -184.517999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.517999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.517999 (E_RNA)
where:
Base-Base interactions energy: -124.158
where: short stacking energy: -58.189
Base-Backbone interact. energy: -0.001
local terms energy: -60.358433
where:
bonds (distance) C4'-P energy: -10.727
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -15.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -180.156039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.156039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.156039 (E_RNA)
where:
Base-Base interactions energy: -122.754
where: short stacking energy: -53.076
Base-Backbone interact. energy: -1.613
local terms energy: -55.789371
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -6.961
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -11.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -73.384398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.384398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.384398 (E_RNA)
where:
Base-Base interactions energy: -29.949
where: short stacking energy: -29.949
Base-Backbone interact. energy: -0.036
local terms energy: -43.399052
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -7.509
flat angles C4'-P-C4' energy: -11.238
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -4.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -208.062634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.062634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.062634 (E_RNA)
where:
Base-Base interactions energy: -147.182
where: short stacking energy: -61.514
Base-Backbone interact. energy: -0.002
local terms energy: -60.878638
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -6.144
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -15.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -205.865837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.865837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.865837 (E_RNA)
where:
Base-Base interactions energy: -136.326
where: short stacking energy: -63.167
Base-Backbone interact. energy: -0.241
local terms energy: -69.298838
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -15.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -207.454804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.454804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.454804 (E_RNA)
where:
Base-Base interactions energy: -142.362
where: short stacking energy: -61.373
Base-Backbone interact. energy: -0.179
local terms energy: -64.913418
where:
bonds (distance) C4'-P energy: -10.326
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -15.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -199.667332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.667332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.667332 (E_RNA)
where:
Base-Base interactions energy: -136.598
where: short stacking energy: -64.894
Base-Backbone interact. energy: -0.104
local terms energy: -62.965305
where:
bonds (distance) C4'-P energy: -10.924
bonds (distance) P-C4' energy: -11.332
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -18.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -194.926714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.926714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.926714 (E_RNA)
where:
Base-Base interactions energy: -130.839
where: short stacking energy: -59.098
Base-Backbone interact. energy: -0.053
local terms energy: -64.034721
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -14.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -201.368934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.368934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.368934 (E_RNA)
where:
Base-Base interactions energy: -134.708
where: short stacking energy: -68.979
Base-Backbone interact. energy: -0.077
local terms energy: -66.583522
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -18.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -195.858972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.858972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.858972 (E_RNA)
where:
Base-Base interactions energy: -131.019
where: short stacking energy: -64.533
Base-Backbone interact. energy: -0.980
local terms energy: -63.860236
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -11.917
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -17.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -177.949464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.949464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.949464 (E_RNA)
where:
Base-Base interactions energy: -123.731
where: short stacking energy: -57.320
Base-Backbone interact. energy: -0.044
local terms energy: -54.174355
where:
bonds (distance) C4'-P energy: -9.189
bonds (distance) P-C4' energy: -12.925
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -10.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -167.778478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.778478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.778478 (E_RNA)
where:
Base-Base interactions energy: -110.505
where: short stacking energy: -46.253
Base-Backbone interact. energy: -0.103
local terms energy: -57.170947
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -11.407
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -12.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -70.782319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.782319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.782319 (E_RNA)
where:
Base-Base interactions energy: -35.125
where: short stacking energy: -28.401
Base-Backbone interact. energy: -0.261
local terms energy: -35.396321
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -9.775
flat angles C4'-P-C4' energy: -6.694
flat angles P-C4'-P energy: -9.306
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)
out arg RESULTS//1/test-a5eddb68_01
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 8
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -212.102557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.102557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.102557 (E_RNA)
where:
Base-Base interactions energy: -144.977
where: short stacking energy: -58.426
Base-Backbone interact. energy: -0.051
local terms energy: -67.074293
where:
bonds (distance) C4'-P energy: -11.704
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -16.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -215.186050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.186050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.186050 (E_RNA)
where:
Base-Base interactions energy: -142.068
where: short stacking energy: -68.353
Base-Backbone interact. energy: -0.541
local terms energy: -72.576613
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -19.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -208.097566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.097566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.097566 (E_RNA)
where:
Base-Base interactions energy: -139.608
where: short stacking energy: -61.739
Base-Backbone interact. energy: -0.322
local terms energy: -68.167659
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -9.961
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -18.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -204.836156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.836156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.836156 (E_RNA)
where:
Base-Base interactions energy: -138.789
where: short stacking energy: -65.250
Base-Backbone interact. energy: -1.208
local terms energy: -64.838811
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -17.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -207.938519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.938519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.938519 (E_RNA)
where:
Base-Base interactions energy: -141.721
where: short stacking energy: -63.938
Base-Backbone interact. energy: -0.371
local terms energy: -65.846367
where:
bonds (distance) C4'-P energy: -10.046
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -17.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -193.341510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.341510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.341510 (E_RNA)
where:
Base-Base interactions energy: -127.947
where: short stacking energy: -51.034
Base-Backbone interact. energy: -1.810
local terms energy: -63.585291
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -13.914
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: 6
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -179.090532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.090532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.090532 (E_RNA)
where:
Base-Base interactions energy: -123.892
where: short stacking energy: -49.916
Base-Backbone interact. energy: -0.173
local terms energy: -55.025567
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -10.010
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: -12.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -189.819924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.819924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.819924 (E_RNA)
where:
Base-Base interactions energy: -132.503
where: short stacking energy: -51.047
Base-Backbone interact. energy: -0.076
local terms energy: -57.241096
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -8.804
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -13.438
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: 5
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -177.456071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.456071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.456071 (E_RNA)
where:
Base-Base interactions energy: -132.588
where: short stacking energy: -55.296
Base-Backbone interact. energy: -0.002
local terms energy: -44.866535
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -5.381
flat angles C4'-P-C4' energy: -7.942
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: -14.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -89.947875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.947875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.947875 (E_RNA)
where:
Base-Base interactions energy: -45.051
where: short stacking energy: -29.599
Base-Backbone interact. energy: -0.035
local terms energy: -44.861504
where:
bonds (distance) C4'-P energy: -2.041
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -8.963
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -7.573
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 8
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -200.014439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.014439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.014439 (E_RNA)
where:
Base-Base interactions energy: -135.455
where: short stacking energy: -57.586
Base-Backbone interact. energy: -0.153
local terms energy: -64.406845
where:
bonds (distance) C4'-P energy: -9.048
bonds (distance) P-C4' energy: -11.897
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -15.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -213.815241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.815241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.815241 (E_RNA)
where:
Base-Base interactions energy: -145.773
where: short stacking energy: -68.405
Base-Backbone interact. energy: -1.928
local terms energy: -66.114636
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -12.883
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -17.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -207.026767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.026767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.026767 (E_RNA)
where:
Base-Base interactions energy: -142.543
where: short stacking energy: -67.514
Base-Backbone interact. energy: -0.006
local terms energy: -64.478390
where:
bonds (distance) C4'-P energy: -7.238
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -19.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -207.235919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.235919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.235919 (E_RNA)
where:
Base-Base interactions energy: -140.540
where: short stacking energy: -68.645
Base-Backbone interact. energy: -0.219
local terms energy: -66.477064
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -19.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -202.766196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.766196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.766196 (E_RNA)
where:
Base-Base interactions energy: -138.313
where: short stacking energy: -64.298
Base-Backbone interact. energy: -0.999
local terms energy: -63.454145
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -15.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -195.521814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.521814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.521814 (E_RNA)
where:
Base-Base interactions energy: -134.070
where: short stacking energy: -62.583
Base-Backbone interact. energy: -0.004
local terms energy: -61.447051
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -11.523
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -15.917
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: 9
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -188.644481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.644481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.644481 (E_RNA)
where:
Base-Base interactions energy: -129.567
where: short stacking energy: -54.543
Base-Backbone interact. energy: -0.000
local terms energy: -59.077586
where:
bonds (distance) C4'-P energy: -9.777
bonds (distance) P-C4' energy: -12.342
flat angles C4'-P-C4' energy: -12.107
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -13.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -190.523686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.523686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.523686 (E_RNA)
where:
Base-Base interactions energy: -129.954
where: short stacking energy: -58.477
Base-Backbone interact. energy: -0.016
local terms energy: -60.553722
where:
bonds (distance) C4'-P energy: -9.623
bonds (distance) P-C4' energy: -10.350
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -17.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -111.597091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.597091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.597091 (E_RNA)
where:
Base-Base interactions energy: -64.979
where: short stacking energy: -21.770
Base-Backbone interact. energy: -0.175
local terms energy: -46.443155
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -5.557
tors. eta vs tors. theta energy: 2.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -66.836035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.836035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.836035 (E_RNA)
where:
Base-Base interactions energy: -18.958
where: short stacking energy: -18.958
Base-Backbone interact. energy: -0.047
local terms energy: -47.830155
where:
bonds (distance) C4'-P energy: -10.041
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -7.307
tors. eta vs tors. theta energy: -2.508
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)