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/pbt-A3-e0a6276a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/pbt-A3-e0a6276a/inputs/seq.fa: 1
curr_seq: _CCCUGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CCCUGCCUCCCACUCC
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/pbt-A3-e0a6276a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/pbt-A3-e0a6276a/inputs/seq.fa: 1
curr_seq: _CCCUGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CCCUGCCUCCCACUCC
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/pbt-A3-e0a6276a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/pbt-A3-e0a6276a/inputs/seq.fa: 1
curr_seq: _CCCUGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CCCUGCCUCCCACUCC
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/pbt-A3-e0a6276a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/pbt-A3-e0a6276a/inputs/seq.fa: 1
curr_seq: _CCCUGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CCCUGCCUCCCACUCC
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/pbt-A3-e0a6276a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/pbt-A3-e0a6276a/inputs/seq.fa: 1
curr_seq: _CCCUGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CCCUGCCUCCCACUCC
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/pbt-A3-e0a6276a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/pbt-A3-e0a6276a/inputs/seq.fa: 1
curr_seq: _CCCUGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CCCUGCCUCCCACUCC
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/pbt-A3-e0a6276a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/pbt-A3-e0a6276a/inputs/seq.fa: 1
curr_seq: _CCCUGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CCCUGCCUCCCACUCC
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/pbt-A3-e0a6276a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/pbt-A3-e0a6276a/inputs/seq.fa: 1
curr_seq: _CCCUGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CCCUGCCUCCCACUCC
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/pbt-A3-e0a6276a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/pbt-A3-e0a6276a/inputs/seq.fa: 1
curr_seq: _CCCUGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CCCUGCCUCCCACUCC
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/pbt-A3-e0a6276a/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/pbt-A3-e0a6276a/inputs/seq.fa: 1
curr_seq: _CCCUGCCUCCCACUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CCCUGCCUCCCACUCC
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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: -56.625045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.625045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.625045 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
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: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -56.625045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.625045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.625045 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
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: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -56.625045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.625045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.625045 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
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: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -56.625045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.625045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.625045 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
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: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -56.625045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.625045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.625045 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
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: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -56.625045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.625045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.625045 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
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: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -56.625045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.625045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.625045 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
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: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -56.625045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.625045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.625045 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
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: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -56.625045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.625045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.625045 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
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: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -56.625045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.625045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.625045 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
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: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -112.546560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.546560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.546560 (E_RNA)
where:
Base-Base interactions energy: -55.062
where: short stacking energy: -48.502
Base-Backbone interact. energy: -0.030
local terms energy: -57.454668
where:
bonds (distance) C4'-P energy: -11.699
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -11.536
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: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -99.233906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.233906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.233906 (E_RNA)
where:
Base-Base interactions energy: -45.307
where: short stacking energy: -45.307
Base-Backbone interact. energy: -0.338
local terms energy: -53.589099
where:
bonds (distance) C4'-P energy: -11.787
bonds (distance) P-C4' energy: -12.255
flat angles C4'-P-C4' energy: -12.272
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -9.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -99.936076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.936076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.936076 (E_RNA)
where:
Base-Base interactions energy: -48.490
where: short stacking energy: -48.490
Base-Backbone interact. energy: -0.000
local terms energy: -51.445726
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -9.029
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: -11.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -78.320329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.320329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.320329 (E_RNA)
where:
Base-Base interactions energy: -32.734
where: short stacking energy: -32.734
Base-Backbone interact. energy: -0.084
local terms energy: -45.502791
where:
bonds (distance) C4'-P energy: -6.445
bonds (distance) P-C4' energy: -11.588
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -6.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -87.699132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.699132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.699132 (E_RNA)
where:
Base-Base interactions energy: -36.861
where: short stacking energy: -34.139
Base-Backbone interact. energy: -0.092
local terms energy: -50.746490
where:
bonds (distance) C4'-P energy: -11.538
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -10.936
flat angles P-C4'-P energy: -7.547
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: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -83.600515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.600515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.600515 (E_RNA)
where:
Base-Base interactions energy: -33.357
where: short stacking energy: -33.357
Base-Backbone interact. energy: -0.000
local terms energy: -50.243488
where:
bonds (distance) C4'-P energy: -9.320
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -11.599
flat angles P-C4'-P energy: -2.951
tors. eta vs tors. theta energy: -13.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -71.096211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.096211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.096211 (E_RNA)
where:
Base-Base interactions energy: -26.039
where: short stacking energy: -26.039
Base-Backbone interact. energy: -0.017
local terms energy: -45.040805
where:
bonds (distance) C4'-P energy: -7.585
bonds (distance) P-C4' energy: -11.391
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -5.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -70.983524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.983524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.983524 (E_RNA)
where:
Base-Base interactions energy: -27.720
where: short stacking energy: -27.720
Base-Backbone interact. energy: -0.101
local terms energy: -43.163068
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -2.146
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -6.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -70.093010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.093010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.093010 (E_RNA)
where:
Base-Base interactions energy: -22.847
where: short stacking energy: -22.847
Base-Backbone interact. energy: -0.146
local terms energy: -47.099252
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -11.419
flat angles C4'-P-C4' energy: -8.028
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -7.361
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: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -58.325475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.325475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.325475 (E_RNA)
where:
Base-Base interactions energy: -21.015
where: short stacking energy: -21.015
Base-Backbone interact. energy: -0.349
local terms energy: -36.961036
where:
bonds (distance) C4'-P energy: -8.512
bonds (distance) P-C4' energy: -10.130
flat angles C4'-P-C4' energy: -6.204
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -2.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -102.763724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.763724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.763724 (E_RNA)
where:
Base-Base interactions energy: -48.911
where: short stacking energy: -48.911
Base-Backbone interact. energy: -0.001
local terms energy: -53.851760
where:
bonds (distance) C4'-P energy: -8.396
bonds (distance) P-C4' energy: -10.954
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -10.844
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: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -95.524339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.524339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.524339 (E_RNA)
where:
Base-Base interactions energy: -43.287
where: short stacking energy: -32.520
Base-Backbone interact. energy: -0.185
local terms energy: -52.052477
where:
bonds (distance) C4'-P energy: -10.442
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -10.544
flat angles P-C4'-P energy: -7.288
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: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -105.193429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.193429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.193429 (E_RNA)
where:
Base-Base interactions energy: -51.148
where: short stacking energy: -37.742
Base-Backbone interact. energy: -0.222
local terms energy: -53.823406
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -10.493
flat angles P-C4'-P energy: -6.580
tors. eta vs tors. theta energy: -10.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -87.002232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.002232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.002232 (E_RNA)
where:
Base-Base interactions energy: -37.049
where: short stacking energy: -36.554
Base-Backbone interact. energy: -0.496
local terms energy: -49.456677
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -9.959
flat angles P-C4'-P energy: -6.488
tors. eta vs tors. theta energy: -8.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -77.101609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.101609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.101609 (E_RNA)
where:
Base-Base interactions energy: -30.430
where: short stacking energy: -30.430
Base-Backbone interact. energy: -0.159
local terms energy: -46.512269
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -9.690
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -5.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -68.609340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.609340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.609340 (E_RNA)
where:
Base-Base interactions energy: -25.394
where: short stacking energy: -24.038
Base-Backbone interact. energy: -0.011
local terms energy: -43.204468
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -8.830
flat angles P-C4'-P energy: -5.504
tors. eta vs tors. theta energy: -3.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -83.824732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.824732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.824732 (E_RNA)
where:
Base-Base interactions energy: -40.624
where: short stacking energy: -40.624
Base-Backbone interact. energy: -0.291
local terms energy: -42.909934
where:
bonds (distance) C4'-P energy: -4.425
bonds (distance) P-C4' energy: -11.724
flat angles C4'-P-C4' energy: -11.629
flat angles P-C4'-P energy: -5.972
tors. eta vs tors. theta energy: -9.160
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: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -76.958546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.958546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.958546 (E_RNA)
where:
Base-Base interactions energy: -30.999
where: short stacking energy: -31.799
Base-Backbone interact. energy: -0.028
local terms energy: -45.931231
where:
bonds (distance) C4'-P energy: -9.043
bonds (distance) P-C4' energy: -10.661
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: -6.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -65.414742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.414742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.414742 (E_RNA)
where:
Base-Base interactions energy: -23.614
where: short stacking energy: -23.614
Base-Backbone interact. energy: -0.131
local terms energy: -41.669316
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -9.841
flat angles C4'-P-C4' energy: -8.831
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -4.334
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: 3
Temperature: 1.350000
Total energy: -65.767503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.767503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.767503 (E_RNA)
where:
Base-Base interactions energy: -29.929
where: short stacking energy: -15.657
Base-Backbone interact. energy: -0.151
local terms energy: -35.687801
where:
bonds (distance) C4'-P energy: -10.929
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -8.430
flat angles P-C4'-P energy: -2.072
tors. eta vs tors. theta energy: -0.934
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: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -109.362817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.362817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.362817 (E_RNA)
where:
Base-Base interactions energy: -45.844
where: short stacking energy: -45.844
Base-Backbone interact. energy: -0.000
local terms energy: -63.519051
where:
bonds (distance) C4'-P energy: -13.256
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -15.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -97.909681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.909681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.909681 (E_RNA)
where:
Base-Base interactions energy: -45.351
where: short stacking energy: -38.193
Base-Backbone interact. energy: -0.032
local terms energy: -52.525997
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -11.406
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: -8.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -96.395523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.395523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.395523 (E_RNA)
where:
Base-Base interactions energy: -41.950
where: short stacking energy: -41.950
Base-Backbone interact. energy: -0.001
local terms energy: -54.444286
where:
bonds (distance) C4'-P energy: -9.812
bonds (distance) P-C4' energy: -10.740
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -13.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -124.660526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.660526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.660526 (E_RNA)
where:
Base-Base interactions energy: -67.564
where: short stacking energy: -50.444
Base-Backbone interact. energy: -0.069
local terms energy: -57.027285
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -9.295
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -12.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -88.305474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.305474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.305474 (E_RNA)
where:
Base-Base interactions energy: -38.312
where: short stacking energy: -32.863
Base-Backbone interact. energy: -0.014
local terms energy: -49.979503
where:
bonds (distance) C4'-P energy: -8.789
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -12.058
flat angles P-C4'-P energy: -10.439
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: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -83.427025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.427025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.427025 (E_RNA)
where:
Base-Base interactions energy: -33.671
where: short stacking energy: -34.296
Base-Backbone interact. energy: -0.000
local terms energy: -49.755640
where:
bonds (distance) C4'-P energy: -9.250
bonds (distance) P-C4' energy: -10.095
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -7.456
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: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -78.764296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.764296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.764296 (E_RNA)
where:
Base-Base interactions energy: -37.661
where: short stacking energy: -37.661
Base-Backbone interact. energy: -0.158
local terms energy: -40.945325
where:
bonds (distance) C4'-P energy: -7.045
bonds (distance) P-C4' energy: -11.295
flat angles C4'-P-C4' energy: -4.247
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: -12.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -71.938576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.938576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.938576 (E_RNA)
where:
Base-Base interactions energy: -30.977
where: short stacking energy: -26.271
Base-Backbone interact. energy: -0.086
local terms energy: -40.876294
where:
bonds (distance) C4'-P energy: -9.772
bonds (distance) P-C4' energy: -11.319
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -3.969
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: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -66.345493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.345493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.345493 (E_RNA)
where:
Base-Base interactions energy: -21.782
where: short stacking energy: -21.782
Base-Backbone interact. energy: -0.087
local terms energy: -44.476439
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -8.065
flat angles C4'-P-C4' energy: -10.122
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -6.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -65.738118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.738118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.738118 (E_RNA)
where:
Base-Base interactions energy: -24.526
where: short stacking energy: -23.579
Base-Backbone interact. energy: -0.003
local terms energy: -41.208940
where:
bonds (distance) C4'-P energy: -8.396
bonds (distance) P-C4' energy: -10.851
flat angles C4'-P-C4' energy: -10.399
flat angles P-C4'-P energy: -6.609
tors. eta vs tors. theta energy: -4.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -106.249960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.249960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.249960 (E_RNA)
where:
Base-Base interactions energy: -49.797
where: short stacking energy: -49.797
Base-Backbone interact. energy: -0.000
local terms energy: -56.453104
where:
bonds (distance) C4'-P energy: -10.946
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -13.845
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: 2, replica: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -105.725887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.725887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.725887 (E_RNA)
where:
Base-Base interactions energy: -46.536
where: short stacking energy: -38.753
Base-Backbone interact. energy: -0.004
local terms energy: -59.186383
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -13.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -97.573053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.573053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.573053 (E_RNA)
where:
Base-Base interactions energy: -49.702
where: short stacking energy: -43.474
Base-Backbone interact. energy: 1.054
local terms energy: -48.924973
where:
bonds (distance) C4'-P energy: -6.703
bonds (distance) P-C4' energy: -10.178
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -8.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -126.623713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.623713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.623713 (E_RNA)
where:
Base-Base interactions energy: -68.618
where: short stacking energy: -48.021
Base-Backbone interact. energy: -0.010
local terms energy: -57.996255
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -11.557
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -12.749
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: 7
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -94.944274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.944274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.944274 (E_RNA)
where:
Base-Base interactions energy: -45.141
where: short stacking energy: -45.141
Base-Backbone interact. energy: -0.090
local terms energy: -49.713104
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -9.387
flat angles C4'-P-C4' energy: -9.271
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -10.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -69.724041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.724041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.724041 (E_RNA)
where:
Base-Base interactions energy: -21.578
where: short stacking energy: -19.867
Base-Backbone interact. energy: -0.007
local terms energy: -48.138580
where:
bonds (distance) C4'-P energy: -8.238
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -11.010
flat angles P-C4'-P energy: -7.197
tors. eta vs tors. theta energy: -7.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -79.021822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.021822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.021822 (E_RNA)
where:
Base-Base interactions energy: -33.036
where: short stacking energy: -33.036
Base-Backbone interact. energy: -0.034
local terms energy: -45.951919
where:
bonds (distance) C4'-P energy: -11.807
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -10.429
flat angles P-C4'-P energy: -3.816
tors. eta vs tors. theta energy: -6.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -67.713156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.713156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.713156 (E_RNA)
where:
Base-Base interactions energy: -30.632
where: short stacking energy: -26.697
Base-Backbone interact. energy: 0.235
local terms energy: -37.316536
where:
bonds (distance) C4'-P energy: -7.759
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -10.323
flat angles P-C4'-P energy: -6.278
tors. eta vs tors. theta energy: -1.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -68.149066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.149066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.149066 (E_RNA)
where:
Base-Base interactions energy: -25.486
where: short stacking energy: -25.486
Base-Backbone interact. energy: -0.006
local terms energy: -42.656909
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -9.618
flat angles C4'-P-C4' energy: -7.838
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -6.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -72.584097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.584097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.584097 (E_RNA)
where:
Base-Base interactions energy: -25.724
where: short stacking energy: -22.816
Base-Backbone interact. energy: -0.102
local terms energy: -46.757811
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -8.930
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: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -107.965228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.965228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.965228 (E_RNA)
where:
Base-Base interactions energy: -48.719
where: short stacking energy: -48.719
Base-Backbone interact. energy: -0.001
local terms energy: -59.245347
where:
bonds (distance) C4'-P energy: -10.904
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -10.075
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -15.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -97.625617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.625617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.625617 (E_RNA)
where:
Base-Base interactions energy: -42.552
where: short stacking energy: -37.955
Base-Backbone interact. energy: -0.317
local terms energy: -54.755888
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -10.253
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -8.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -118.044963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.044963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.044963 (E_RNA)
where:
Base-Base interactions energy: -59.482
where: short stacking energy: -43.395
Base-Backbone interact. energy: -0.025
local terms energy: -58.538153
where:
bonds (distance) C4'-P energy: -12.478
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -9.692
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -14.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -109.308400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.308400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.308400 (E_RNA)
where:
Base-Base interactions energy: -53.390
where: short stacking energy: -53.390
Base-Backbone interact. energy: -0.004
local terms energy: -55.914321
where:
bonds (distance) C4'-P energy: -8.033
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -10.081
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -16.259
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: 6
Temperature: 1.100000
Total energy: -95.903936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.903936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.903936 (E_RNA)
where:
Base-Base interactions energy: -39.325
where: short stacking energy: -39.325
Base-Backbone interact. energy: -0.032
local terms energy: -56.546678
where:
bonds (distance) C4'-P energy: -9.465
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -11.708
flat angles P-C4'-P energy: -8.132
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: 6, replica: 7
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -89.500210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.500210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.500210 (E_RNA)
where:
Base-Base interactions energy: -39.789
where: short stacking energy: -39.789
Base-Backbone interact. energy: -0.008
local terms energy: -49.703101
where:
bonds (distance) C4'-P energy: -9.439
bonds (distance) P-C4' energy: -10.788
flat angles C4'-P-C4' energy: -9.980
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: -11.741
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: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -75.791906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.791906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.791906 (E_RNA)
where:
Base-Base interactions energy: -40.537
where: short stacking energy: -23.578
Base-Backbone interact. energy: -0.316
local terms energy: -34.938955
where:
bonds (distance) C4'-P energy: -6.595
bonds (distance) P-C4' energy: -9.706
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: 0.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -70.246051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.246051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.246051 (E_RNA)
where:
Base-Base interactions energy: -26.367
where: short stacking energy: -26.667
Base-Backbone interact. energy: -0.076
local terms energy: -43.803129
where:
bonds (distance) C4'-P energy: -9.326
bonds (distance) P-C4' energy: -11.135
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -5.724
tors. eta vs tors. theta energy: -5.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -62.830049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.830049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.830049 (E_RNA)
where:
Base-Base interactions energy: -21.102
where: short stacking energy: -21.102
Base-Backbone interact. energy: -0.217
local terms energy: -41.510180
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -8.753
flat angles P-C4'-P energy: -4.602
tors. eta vs tors. theta energy: -2.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -72.576962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.576962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.576962 (E_RNA)
where:
Base-Base interactions energy: -29.401
where: short stacking energy: -29.401
Base-Backbone interact. energy: -0.008
local terms energy: -43.168073
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -1.970
tors. eta vs tors. theta energy: -3.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -109.782108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.782108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.782108 (E_RNA)
where:
Base-Base interactions energy: -52.046
where: short stacking energy: -52.046
Base-Backbone interact. energy: -0.005
local terms energy: -57.730232
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -5.553
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: 2, replica: 5
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -105.023863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.023863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.023863 (E_RNA)
where:
Base-Base interactions energy: -57.248
where: short stacking energy: -42.406
Base-Backbone interact. energy: -0.106
local terms energy: -47.670127
where:
bonds (distance) C4'-P energy: -8.267
bonds (distance) P-C4' energy: -10.893
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -10.452
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: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -93.258945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.258945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.258945 (E_RNA)
where:
Base-Base interactions energy: -47.701
where: short stacking energy: -36.702
Base-Backbone interact. energy: -0.030
local terms energy: -45.527907
where:
bonds (distance) C4'-P energy: -13.546
bonds (distance) P-C4' energy: -8.582
flat angles C4'-P-C4' energy: -10.054
flat angles P-C4'-P energy: -3.982
tors. eta vs tors. theta energy: -9.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -96.006132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.006132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.006132 (E_RNA)
where:
Base-Base interactions energy: -43.009
where: short stacking energy: -43.009
Base-Backbone interact. energy: -0.105
local terms energy: -52.892859
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -8.085
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -12.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -83.941669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.941669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.941669 (E_RNA)
where:
Base-Base interactions energy: -36.962
where: short stacking energy: -36.962
Base-Backbone interact. energy: -0.217
local terms energy: -46.763289
where:
bonds (distance) C4'-P energy: -9.667
bonds (distance) P-C4' energy: -11.506
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -4.924
tors. eta vs tors. theta energy: -8.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -79.825962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.825962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.825962 (E_RNA)
where:
Base-Base interactions energy: -32.915
where: short stacking energy: -32.915
Base-Backbone interact. energy: -0.018
local terms energy: -46.892236
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -9.262
flat angles C4'-P-C4' energy: -11.041
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -3.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -59.628974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.628974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.628974 (E_RNA)
where:
Base-Base interactions energy: -23.869
where: short stacking energy: -23.869
Base-Backbone interact. energy: -0.277
local terms energy: -35.483529
where:
bonds (distance) C4'-P energy: -9.807
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -8.280
flat angles P-C4'-P energy: -5.063
tors. eta vs tors. theta energy: -0.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -63.694740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.694740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.694740 (E_RNA)
where:
Base-Base interactions energy: -25.419
where: short stacking energy: -25.519
Base-Backbone interact. energy: -0.191
local terms energy: -38.084795
where:
bonds (distance) C4'-P energy: -7.461
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -8.985
flat angles P-C4'-P energy: -4.487
tors. eta vs tors. theta energy: -3.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -64.558906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.558906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.558906 (E_RNA)
where:
Base-Base interactions energy: -21.420
where: short stacking energy: -15.497
Base-Backbone interact. energy: -0.088
local terms energy: -43.050905
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -10.425
flat angles P-C4'-P energy: -6.672
tors. eta vs tors. theta energy: -2.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -57.797441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.797441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.797441 (E_RNA)
where:
Base-Base interactions energy: -24.601
where: short stacking energy: -14.769
Base-Backbone interact. energy: -0.121
local terms energy: -33.075276
where:
bonds (distance) C4'-P energy: -7.208
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -9.202
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: 3.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -142.369319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.369319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.369319 (E_RNA)
where:
Base-Base interactions energy: -84.610
where: short stacking energy: -54.125
Base-Backbone interact. energy: -0.011
local terms energy: -57.748252
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -12.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -118.392528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.392528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.392528 (E_RNA)
where:
Base-Base interactions energy: -58.408
where: short stacking energy: -57.625
Base-Backbone interact. energy: -0.038
local terms energy: -59.946576
where:
bonds (distance) C4'-P energy: -12.536
bonds (distance) P-C4' energy: -11.437
flat angles C4'-P-C4' energy: -10.775
flat angles P-C4'-P energy: -8.404
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: 3
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -107.863403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.863403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.863403 (E_RNA)
where:
Base-Base interactions energy: -59.073
where: short stacking energy: -34.629
Base-Backbone interact. energy: -0.063
local terms energy: -48.727750
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -10.253
flat angles C4'-P-C4' energy: -9.145
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -7.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -81.391117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.391117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.391117 (E_RNA)
where:
Base-Base interactions energy: -35.829
where: short stacking energy: -35.829
Base-Backbone interact. energy: -0.005
local terms energy: -45.557254
where:
bonds (distance) C4'-P energy: -9.717
bonds (distance) P-C4' energy: -10.143
flat angles C4'-P-C4' energy: -6.869
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -8.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -92.758993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.758993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.758993 (E_RNA)
where:
Base-Base interactions energy: -45.740
where: short stacking energy: -45.740
Base-Backbone interact. energy: -0.000
local terms energy: -47.018462
where:
bonds (distance) C4'-P energy: -7.995
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -7.298
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -12.487
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: 1
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -90.662679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.662679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.662679 (E_RNA)
where:
Base-Base interactions energy: -43.205
where: short stacking energy: -43.205
Base-Backbone interact. energy: -0.086
local terms energy: -47.371926
where:
bonds (distance) C4'-P energy: -3.497
bonds (distance) P-C4' energy: -10.055
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -10.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -76.930576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.930576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.930576 (E_RNA)
where:
Base-Base interactions energy: -31.047
where: short stacking energy: -31.047
Base-Backbone interact. energy: -0.122
local terms energy: -45.761421
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -10.124
flat angles P-C4'-P energy: -6.987
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: 8, replica: 7
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -66.359163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.359163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.359163 (E_RNA)
where:
Base-Base interactions energy: -24.924
where: short stacking energy: -24.924
Base-Backbone interact. energy: -0.035
local terms energy: -41.400018
where:
bonds (distance) C4'-P energy: -10.616
bonds (distance) P-C4' energy: -9.888
flat angles C4'-P-C4' energy: -10.491
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -2.620
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: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -65.477650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.477650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.477650 (E_RNA)
where:
Base-Base interactions energy: -25.215
where: short stacking energy: -25.215
Base-Backbone interact. energy: -0.004
local terms energy: -40.258561
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -8.933
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -4.477
tors. eta vs tors. theta energy: -1.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -70.363791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.363791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.363791 (E_RNA)
where:
Base-Base interactions energy: -28.546
where: short stacking energy: -28.546
Base-Backbone interact. energy: 0.205
local terms energy: -42.022500
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -6.893
flat angles C4'-P-C4' energy: -9.887
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -4.707
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: 5
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -145.268720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.268720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.268720 (E_RNA)
where:
Base-Base interactions energy: -83.907
where: short stacking energy: -56.081
Base-Backbone interact. energy: -0.104
local terms energy: -61.257343
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -5.721
tors. eta vs tors. theta energy: -14.468
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: 3
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -118.676441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.676441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.676441 (E_RNA)
where:
Base-Base interactions energy: -62.074
where: short stacking energy: -44.796
Base-Backbone interact. energy: -0.014
local terms energy: -56.588256
where:
bonds (distance) C4'-P energy: -10.548
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -12.448
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -10.599
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: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -96.168198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.168198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.168198 (E_RNA)
where:
Base-Base interactions energy: -39.184
where: short stacking energy: -39.184
Base-Backbone interact. energy: -0.225
local terms energy: -56.760008
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -11.424
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -10.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -98.491294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.491294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.491294 (E_RNA)
where:
Base-Base interactions energy: -37.850
where: short stacking energy: -31.616
Base-Backbone interact. energy: -0.002
local terms energy: -60.639055
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -10.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -92.936322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.936322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.936322 (E_RNA)
where:
Base-Base interactions energy: -42.442
where: short stacking energy: -35.475
Base-Backbone interact. energy: -0.475
local terms energy: -50.018754
where:
bonds (distance) C4'-P energy: -10.014
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -6.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -76.710238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.710238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.710238 (E_RNA)
where:
Base-Base interactions energy: -32.832
where: short stacking energy: -32.832
Base-Backbone interact. energy: -0.009
local terms energy: -43.868995
where:
bonds (distance) C4'-P energy: -7.457
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -5.984
tors. eta vs tors. theta energy: -5.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -66.227094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.227094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.227094 (E_RNA)
where:
Base-Base interactions energy: -27.168
where: short stacking energy: -26.396
Base-Backbone interact. energy: -0.278
local terms energy: -38.781425
where:
bonds (distance) C4'-P energy: -8.852
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -9.556
flat angles P-C4'-P energy: -4.307
tors. eta vs tors. theta energy: -3.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -73.174980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.174980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.174980 (E_RNA)
where:
Base-Base interactions energy: -26.594
where: short stacking energy: -20.470
Base-Backbone interact. energy: 0.002
local terms energy: -46.582666
where:
bonds (distance) C4'-P energy: -10.573
bonds (distance) P-C4' energy: -9.759
flat angles C4'-P-C4' energy: -10.665
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -6.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -70.534904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.534904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.534904 (E_RNA)
where:
Base-Base interactions energy: -30.772
where: short stacking energy: -26.177
Base-Backbone interact. energy: -0.113
local terms energy: -39.649881
where:
bonds (distance) C4'-P energy: -9.667
bonds (distance) P-C4' energy: -9.282
flat angles C4'-P-C4' energy: -11.563
flat angles P-C4'-P energy: -4.957
tors. eta vs tors. theta energy: -4.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -60.535226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.535226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.535226 (E_RNA)
where:
Base-Base interactions energy: -16.836
where: short stacking energy: -16.836
Base-Backbone interact. energy: -0.098
local terms energy: -43.601730
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -10.580
flat angles C4'-P-C4' energy: -5.972
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -7.280
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: 3
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -116.713966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.713966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.713966 (E_RNA)
where:
Base-Base interactions energy: -55.059
where: short stacking energy: -55.059
Base-Backbone interact. energy: -0.001
local terms energy: -61.653669
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -15.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -135.691571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.691571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.691571 (E_RNA)
where:
Base-Base interactions energy: -75.603
where: short stacking energy: -47.138
Base-Backbone interact. energy: -0.439
local terms energy: -59.650307
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -7.731
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: 3, replica: 10
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -92.202814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.202814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.202814 (E_RNA)
where:
Base-Base interactions energy: -40.172
where: short stacking energy: -40.172
Base-Backbone interact. energy: -0.175
local terms energy: -51.856233
where:
bonds (distance) C4'-P energy: -8.495
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -10.736
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -9.010
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: 4, replica: 2
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -83.564763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.564763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.564763 (E_RNA)
where:
Base-Base interactions energy: -37.276
where: short stacking energy: -37.276
Base-Backbone interact. energy: -0.002
local terms energy: -46.287365
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -11.712
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -5.202
tors. eta vs tors. theta energy: -4.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -87.064827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.064827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.064827 (E_RNA)
where:
Base-Base interactions energy: -32.734
where: short stacking energy: -32.734
Base-Backbone interact. energy: -0.049
local terms energy: -54.281411
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -7.548
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: 4
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -73.978791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.978791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.978791 (E_RNA)
where:
Base-Base interactions energy: -27.555
where: short stacking energy: -25.162
Base-Backbone interact. energy: -0.062
local terms energy: -46.361896
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: -1.978
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: 10
Temperature: 1.200000
Total energy: -75.665273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.665273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.665273 (E_RNA)
where:
Base-Base interactions energy: -33.785
where: short stacking energy: -33.785
Base-Backbone interact. energy: -0.106
local terms energy: -41.773942
where:
bonds (distance) C4'-P energy: -8.421
bonds (distance) P-C4' energy: -11.265
flat angles C4'-P-C4' energy: -6.941
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: -7.611
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: 1
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -72.240657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.240657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.240657 (E_RNA)
where:
Base-Base interactions energy: -29.182
where: short stacking energy: -18.040
Base-Backbone interact. energy: -0.222
local terms energy: -42.835844
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -9.907
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: -1.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -67.720950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.720950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.720950 (E_RNA)
where:
Base-Base interactions energy: -29.515
where: short stacking energy: -29.515
Base-Backbone interact. energy: -0.254
local terms energy: -37.952429
where:
bonds (distance) C4'-P energy: -10.433
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -4.479
flat angles P-C4'-P energy: -6.364
tors. eta vs tors. theta energy: -4.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -56.341305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.341305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.341305 (E_RNA)
where:
Base-Base interactions energy: -20.657
where: short stacking energy: -20.657
Base-Backbone interact. energy: -0.074
local terms energy: -35.610523
where:
bonds (distance) C4'-P energy: -11.314
bonds (distance) P-C4' energy: -11.541
flat angles C4'-P-C4' energy: -9.405
flat angles P-C4'-P energy: -7.223
tors. eta vs tors. theta energy: 3.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -106.170116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.170116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.170116 (E_RNA)
where:
Base-Base interactions energy: -49.356
where: short stacking energy: -49.356
Base-Backbone interact. energy: -0.003
local terms energy: -56.810884
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -10.364
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -11.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -99.997074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.997074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.997074 (E_RNA)
where:
Base-Base interactions energy: -45.053
where: short stacking energy: -40.716
Base-Backbone interact. energy: -0.102
local terms energy: -54.842442
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -12.191
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -5.361
tors. eta vs tors. theta energy: -12.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -115.514955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.514955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.514955 (E_RNA)
where:
Base-Base interactions energy: -60.292
where: short stacking energy: -49.548
Base-Backbone interact. energy: -0.003
local terms energy: -55.219583
where:
bonds (distance) C4'-P energy: -7.547
bonds (distance) P-C4' energy: -11.287
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -14.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -85.911518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.911518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.911518 (E_RNA)
where:
Base-Base interactions energy: -41.939
where: short stacking energy: -41.939
Base-Backbone interact. energy: -0.040
local terms energy: -43.932612
where:
bonds (distance) C4'-P energy: -9.257
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -8.626
flat angles P-C4'-P energy: -3.826
tors. eta vs tors. theta energy: -9.855
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: 5, replica: 9
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -88.338241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.338241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.338241 (E_RNA)
where:
Base-Base interactions energy: -42.152
where: short stacking energy: -42.152
Base-Backbone interact. energy: -0.104
local terms energy: -46.082625
where:
bonds (distance) C4'-P energy: -8.693
bonds (distance) P-C4' energy: -11.557
flat angles C4'-P-C4' energy: -9.654
flat angles P-C4'-P energy: -6.928
tors. eta vs tors. theta energy: -9.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -80.904928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.904928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.904928 (E_RNA)
where:
Base-Base interactions energy: -32.201
where: short stacking energy: -32.201
Base-Backbone interact. energy: -0.023
local terms energy: -48.680401
where:
bonds (distance) C4'-P energy: -8.160
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -11.366
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -5.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -76.540904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.540904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.540904 (E_RNA)
where:
Base-Base interactions energy: -32.529
where: short stacking energy: -32.418
Base-Backbone interact. energy: -0.011
local terms energy: -44.000196
where:
bonds (distance) C4'-P energy: -9.978
bonds (distance) P-C4' energy: -10.170
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -5.693
tors. eta vs tors. theta energy: -5.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -74.068469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.068469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.068469 (E_RNA)
where:
Base-Base interactions energy: -30.751
where: short stacking energy: -20.325
Base-Backbone interact. energy: 0.270
local terms energy: -43.588234
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -8.381
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -4.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -74.078081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.078081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.078081 (E_RNA)
where:
Base-Base interactions energy: -28.788
where: short stacking energy: -28.788
Base-Backbone interact. energy: -0.067
local terms energy: -45.222868
where:
bonds (distance) C4'-P energy: -8.524
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -11.200
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: -4.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -57.425855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.425855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.425855 (E_RNA)
where:
Base-Base interactions energy: -19.522
where: short stacking energy: -19.522
Base-Backbone interact. energy: 0.210
local terms energy: -38.113841
where:
bonds (distance) C4'-P energy: -7.808
bonds (distance) P-C4' energy: -11.282
flat angles C4'-P-C4' energy: -10.763
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -0.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -113.424634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.424634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.424634 (E_RNA)
where:
Base-Base interactions energy: -57.969
where: short stacking energy: -43.201
Base-Backbone interact. energy: -0.047
local terms energy: -55.408392
where:
bonds (distance) C4'-P energy: -10.598
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -11.777
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: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -99.794549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.794549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.794549 (E_RNA)
where:
Base-Base interactions energy: -48.471
where: short stacking energy: -48.471
Base-Backbone interact. energy: -0.026
local terms energy: -51.298082
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -11.971
flat angles P-C4'-P energy: -5.479
tors. eta vs tors. theta energy: -11.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -112.018410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.018410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.018410 (E_RNA)
where:
Base-Base interactions energy: -60.338
where: short stacking energy: -38.864
Base-Backbone interact. energy: -0.010
local terms energy: -51.670632
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -8.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -89.928894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.928894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.928894 (E_RNA)
where:
Base-Base interactions energy: -35.538
where: short stacking energy: -35.538
Base-Backbone interact. energy: -0.035
local terms energy: -54.355174
where:
bonds (distance) C4'-P energy: -11.215
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -9.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -89.505533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.505533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.505533 (E_RNA)
where:
Base-Base interactions energy: -37.130
where: short stacking energy: -37.130
Base-Backbone interact. energy: -0.003
local terms energy: -52.372578
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -11.636
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -6.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -84.156884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.156884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.156884 (E_RNA)
where:
Base-Base interactions energy: -37.498
where: short stacking energy: -37.498
Base-Backbone interact. energy: -0.005
local terms energy: -46.654147
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -7.879
flat angles C4'-P-C4' energy: -10.472
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -7.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -84.007345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.007345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.007345 (E_RNA)
where:
Base-Base interactions energy: -36.957
where: short stacking energy: -36.957
Base-Backbone interact. energy: -0.157
local terms energy: -46.893662
where:
bonds (distance) C4'-P energy: -5.983
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -7.102
tors. eta vs tors. theta energy: -7.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -68.905394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.905394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.905394 (E_RNA)
where:
Base-Base interactions energy: -27.144
where: short stacking energy: -26.987
Base-Backbone interact. energy: 0.054
local terms energy: -41.815302
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -9.442
flat angles P-C4'-P energy: -5.251
tors. eta vs tors. theta energy: -1.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -65.784336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.784336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.784336 (E_RNA)
where:
Base-Base interactions energy: -22.546
where: short stacking energy: -22.546
Base-Backbone interact. energy: -0.143
local terms energy: -43.096038
where:
bonds (distance) C4'-P energy: -10.846
bonds (distance) P-C4' energy: -10.536
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -5.097
tors. eta vs tors. theta energy: -5.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -65.490732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.490732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.490732 (E_RNA)
where:
Base-Base interactions energy: -23.748
where: short stacking energy: -23.748
Base-Backbone interact. energy: -0.062
local terms energy: -41.680337
where:
bonds (distance) C4'-P energy: -11.239
bonds (distance) P-C4' energy: -7.887
flat angles C4'-P-C4' energy: -9.973
flat angles P-C4'-P energy: -5.749
tors. eta vs tors. theta energy: -6.833
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: 10
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -107.201100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.201100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.201100 (E_RNA)
where:
Base-Base interactions energy: -51.078
where: short stacking energy: -51.078
Base-Backbone interact. energy: -0.002
local terms energy: -56.121380
where:
bonds (distance) C4'-P energy: -9.775
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -10.409
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -13.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -113.884908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.884908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.884908 (E_RNA)
where:
Base-Base interactions energy: -58.561
where: short stacking energy: -58.561
Base-Backbone interact. energy: -0.001
local terms energy: -55.322917
where:
bonds (distance) C4'-P energy: -9.480
bonds (distance) P-C4' energy: -10.396
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -14.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -84.557239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.557239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.557239 (E_RNA)
where:
Base-Base interactions energy: -35.601
where: short stacking energy: -35.801
Base-Backbone interact. energy: -0.009
local terms energy: -48.947013
where:
bonds (distance) C4'-P energy: -9.986
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: -6.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -100.549370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.549370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.549370 (E_RNA)
where:
Base-Base interactions energy: -43.039
where: short stacking energy: -43.039
Base-Backbone interact. energy: -0.000
local terms energy: -57.509898
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -10.721
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -11.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -69.791225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.791225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.791225 (E_RNA)
where:
Base-Base interactions energy: -30.209
where: short stacking energy: -29.293
Base-Backbone interact. energy: -1.011
local terms energy: -38.570782
where:
bonds (distance) C4'-P energy: -7.759
bonds (distance) P-C4' energy: -8.143
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -5.147
tors. eta vs tors. theta energy: -4.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -75.924440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.924440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.924440 (E_RNA)
where:
Base-Base interactions energy: -29.032
where: short stacking energy: -28.177
Base-Backbone interact. energy: -0.201
local terms energy: -46.691394
where:
bonds (distance) C4'-P energy: -9.505
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -6.569
tors. eta vs tors. theta energy: -6.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -73.394805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.394805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.394805 (E_RNA)
where:
Base-Base interactions energy: -26.951
where: short stacking energy: -26.951
Base-Backbone interact. energy: -0.076
local terms energy: -46.368095
where:
bonds (distance) C4'-P energy: -9.855
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -8.858
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -5.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -73.920922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.920922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.920922 (E_RNA)
where:
Base-Base interactions energy: -27.366
where: short stacking energy: -27.366
Base-Backbone interact. energy: -0.030
local terms energy: -46.524951
where:
bonds (distance) C4'-P energy: -6.554
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: -6.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -62.299434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.299434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.299434 (E_RNA)
where:
Base-Base interactions energy: -18.322
where: short stacking energy: -18.322
Base-Backbone interact. energy: -0.626
local terms energy: -43.352094
where:
bonds (distance) C4'-P energy: -8.920
bonds (distance) P-C4' energy: -10.405
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -2.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -60.519092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.519092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.519092 (E_RNA)
where:
Base-Base interactions energy: -25.281
where: short stacking energy: -20.565
Base-Backbone interact. energy: -0.022
local terms energy: -35.216526
where:
bonds (distance) C4'-P energy: -7.452
bonds (distance) P-C4' energy: -9.708
flat angles C4'-P-C4' energy: -10.253
flat angles P-C4'-P energy: -5.635
tors. eta vs tors. theta energy: -2.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -106.363584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.363584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.363584 (E_RNA)
where:
Base-Base interactions energy: -48.643
where: short stacking energy: -37.027
Base-Backbone interact. energy: -0.156
local terms energy: -57.564529
where:
bonds (distance) C4'-P energy: -13.832
bonds (distance) P-C4' energy: -11.497
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -6.596
tors. eta vs tors. theta energy: -13.476
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: 10
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -98.663599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.663599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.663599 (E_RNA)
where:
Base-Base interactions energy: -45.402
where: short stacking energy: -45.402
Base-Backbone interact. energy: -0.014
local terms energy: -53.247352
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -11.104
flat angles C4'-P-C4' energy: -11.032
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -11.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -112.890409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.890409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.890409 (E_RNA)
where:
Base-Base interactions energy: -66.773
where: short stacking energy: -39.688
Base-Backbone interact. energy: -0.021
local terms energy: -46.096202
where:
bonds (distance) C4'-P energy: -8.710
bonds (distance) P-C4' energy: -12.674
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: -6.046
tors. eta vs tors. theta energy: -7.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -91.870812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.870812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.870812 (E_RNA)
where:
Base-Base interactions energy: -39.016
where: short stacking energy: -39.016
Base-Backbone interact. energy: -0.079
local terms energy: -52.776242
where:
bonds (distance) C4'-P energy: -12.018
bonds (distance) P-C4' energy: -9.992
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -6.343
tors. eta vs tors. theta energy: -10.473
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: 5, replica: 1
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -85.257842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.257842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.257842 (E_RNA)
where:
Base-Base interactions energy: -35.140
where: short stacking energy: -35.100
Base-Backbone interact. energy: 0.410
local terms energy: -50.527870
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -10.326
flat angles C4'-P-C4' energy: -11.411
flat angles P-C4'-P energy: -7.193
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: 6, replica: 2
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -68.535677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.535677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.535677 (E_RNA)
where:
Base-Base interactions energy: -25.360
where: short stacking energy: -25.360
Base-Backbone interact. energy: -0.394
local terms energy: -42.781868
where:
bonds (distance) C4'-P energy: -11.252
bonds (distance) P-C4' energy: -8.794
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -5.349
tors. eta vs tors. theta energy: -5.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -78.389923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.389923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.389923 (E_RNA)
where:
Base-Base interactions energy: -36.763
where: short stacking energy: -30.518
Base-Backbone interact. energy: -0.083
local terms energy: -41.544679
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -10.799
flat angles P-C4'-P energy: -2.926
tors. eta vs tors. theta energy: -5.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -76.495552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.495552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.495552 (E_RNA)
where:
Base-Base interactions energy: -30.223
where: short stacking energy: -29.645
Base-Backbone interact. energy: -0.014
local terms energy: -46.258947
where:
bonds (distance) C4'-P energy: -9.522
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -9.052
flat angles P-C4'-P energy: -5.515
tors. eta vs tors. theta energy: -8.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -66.838160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.838160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.838160 (E_RNA)
where:
Base-Base interactions energy: -32.089
where: short stacking energy: -31.477
Base-Backbone interact. energy: -0.208
local terms energy: -34.540750
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -10.720
flat angles P-C4'-P energy: 2.422
tors. eta vs tors. theta energy: -3.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -58.018401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.018401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.018401 (E_RNA)
where:
Base-Base interactions energy: -21.973
where: short stacking energy: -21.973
Base-Backbone interact. energy: 5.019
local terms energy: -41.064863
where:
bonds (distance) C4'-P energy: -8.673
bonds (distance) P-C4' energy: -10.593
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -2.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -115.768082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.768082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.768082 (E_RNA)
where:
Base-Base interactions energy: -55.454
where: short stacking energy: -51.868
Base-Backbone interact. energy: -0.152
local terms energy: -60.161434
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -8.692
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: 2, replica: 9
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -127.319742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.319742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.319742 (E_RNA)
where:
Base-Base interactions energy: -69.242
where: short stacking energy: -44.533
Base-Backbone interact. energy: -0.021
local terms energy: -58.056912
where:
bonds (distance) C4'-P energy: -9.513
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -12.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -93.887355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.887355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.887355 (E_RNA)
where:
Base-Base interactions energy: -37.206
where: short stacking energy: -37.206
Base-Backbone interact. energy: -0.012
local terms energy: -56.669580
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -10.732
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -11.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -81.000540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.000540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.000540 (E_RNA)
where:
Base-Base interactions energy: -35.766
where: short stacking energy: -35.766
Base-Backbone interact. energy: -0.183
local terms energy: -45.051828
where:
bonds (distance) C4'-P energy: -9.828
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -6.331
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -8.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -85.139900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.139900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.139900 (E_RNA)
where:
Base-Base interactions energy: -40.143
where: short stacking energy: -40.143
Base-Backbone interact. energy: -0.011
local terms energy: -44.986180
where:
bonds (distance) C4'-P energy: -3.797
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -10.805
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: -10.202
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: 7
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -74.145020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.145020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.145020 (E_RNA)
where:
Base-Base interactions energy: -26.579
where: short stacking energy: -17.595
Base-Backbone interact. energy: -0.092
local terms energy: -47.473775
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -10.889
flat angles P-C4'-P energy: -5.786
tors. eta vs tors. theta energy: -2.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -91.978948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.978948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.978948 (E_RNA)
where:
Base-Base interactions energy: -39.378
where: short stacking energy: -39.378
Base-Backbone interact. energy: -0.002
local terms energy: -52.598414
where:
bonds (distance) C4'-P energy: -12.085
bonds (distance) P-C4' energy: -11.406
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -4.740
tors. eta vs tors. theta energy: -12.473
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: 8
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -85.974772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.974772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.974772 (E_RNA)
where:
Base-Base interactions energy: -33.688
where: short stacking energy: -33.688
Base-Backbone interact. energy: -0.019
local terms energy: -52.267607
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -11.906
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -7.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -71.142530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.142530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.142530 (E_RNA)
where:
Base-Base interactions energy: -30.433
where: short stacking energy: -20.219
Base-Backbone interact. energy: -0.166
local terms energy: -40.543133
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -4.485
tors. eta vs tors. theta energy: 0.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -62.409398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.409398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.409398 (E_RNA)
where:
Base-Base interactions energy: -27.108
where: short stacking energy: -27.108
Base-Backbone interact. energy: -0.005
local terms energy: -35.296276
where:
bonds (distance) C4'-P energy: -6.972
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -10.376
flat angles P-C4'-P energy: -4.581
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: 9
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -129.790333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.790333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.790333 (E_RNA)
where:
Base-Base interactions energy: -81.232
where: short stacking energy: -50.720
Base-Backbone interact. energy: -0.008
local terms energy: -48.551133
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: -9.088
flat angles C4'-P-C4' energy: -9.577
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -11.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -115.358610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.358610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.358610 (E_RNA)
where:
Base-Base interactions energy: -58.318
where: short stacking energy: -49.535
Base-Backbone interact. energy: -0.033
local terms energy: -57.007511
where:
bonds (distance) C4'-P energy: -9.265
bonds (distance) P-C4' energy: -11.631
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -7.767
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: 3, replica: 1
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -95.897452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.897452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.897452 (E_RNA)
where:
Base-Base interactions energy: -46.213
where: short stacking energy: -46.213
Base-Backbone interact. energy: -0.098
local terms energy: -49.586283
where:
bonds (distance) C4'-P energy: -9.485
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -8.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -86.513939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.513939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.513939 (E_RNA)
where:
Base-Base interactions energy: -40.300
where: short stacking energy: -40.300
Base-Backbone interact. energy: -0.185
local terms energy: -46.028581
where:
bonds (distance) C4'-P energy: -11.069
bonds (distance) P-C4' energy: -10.547
flat angles C4'-P-C4' energy: -9.330
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -7.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -72.543602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.543602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.543602 (E_RNA)
where:
Base-Base interactions energy: -26.293
where: short stacking energy: -26.293
Base-Backbone interact. energy: -0.055
local terms energy: -46.196098
where:
bonds (distance) C4'-P energy: -9.605
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -5.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -94.954110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.954110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.954110 (E_RNA)
where:
Base-Base interactions energy: -43.882
where: short stacking energy: -43.882
Base-Backbone interact. energy: -0.215
local terms energy: -50.856819
where:
bonds (distance) C4'-P energy: -9.365
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -11.593
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -8.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -80.857731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.857731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.857731 (E_RNA)
where:
Base-Base interactions energy: -33.697
where: short stacking energy: -31.378
Base-Backbone interact. energy: -0.092
local terms energy: -47.068905
where:
bonds (distance) C4'-P energy: -11.152
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -6.649
tors. eta vs tors. theta energy: -4.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -68.644982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.644982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.644982 (E_RNA)
where:
Base-Base interactions energy: -27.789
where: short stacking energy: -27.789
Base-Backbone interact. energy: -0.114
local terms energy: -40.741250
where:
bonds (distance) C4'-P energy: -9.456
bonds (distance) P-C4' energy: -7.637
flat angles C4'-P-C4' energy: -9.732
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -5.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -61.439841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.439841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.439841 (E_RNA)
where:
Base-Base interactions energy: -17.630
where: short stacking energy: -17.630
Base-Backbone interact. energy: -0.045
local terms energy: -43.765151
where:
bonds (distance) C4'-P energy: -9.129
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -11.504
flat angles P-C4'-P energy: -6.045
tors. eta vs tors. theta energy: -2.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -59.970064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.970064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.970064 (E_RNA)
where:
Base-Base interactions energy: -21.848
where: short stacking energy: -21.848
Base-Backbone interact. energy: -0.183
local terms energy: -37.938444
where:
bonds (distance) C4'-P energy: -8.648
bonds (distance) P-C4' energy: -8.816
flat angles C4'-P-C4' energy: -8.994
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: -3.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -139.350834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.350834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.350834 (E_RNA)
where:
Base-Base interactions energy: -77.108
where: short stacking energy: -49.331
Base-Backbone interact. energy: 0.113
local terms energy: -62.355787
where:
bonds (distance) C4'-P energy: -12.697
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -13.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -99.663620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.663620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.663620 (E_RNA)
where:
Base-Base interactions energy: -46.130
where: short stacking energy: -46.130
Base-Backbone interact. energy: -0.000
local terms energy: -53.533230
where:
bonds (distance) C4'-P energy: -10.685
bonds (distance) P-C4' energy: -10.597
flat angles C4'-P-C4' energy: -12.473
flat angles P-C4'-P energy: -5.362
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: 3, replica: 5
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -117.409820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.409820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.409820 (E_RNA)
where:
Base-Base interactions energy: -64.384
where: short stacking energy: -41.768
Base-Backbone interact. energy: -0.019
local terms energy: -53.007132
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -10.587
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -11.902
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: 17
Temperature: 1.050000
Total energy: -84.789002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.789002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.789002 (E_RNA)
where:
Base-Base interactions energy: -37.009
where: short stacking energy: -37.009
Base-Backbone interact. energy: -0.005
local terms energy: -47.774695
where:
bonds (distance) C4'-P energy: -9.137
bonds (distance) P-C4' energy: -9.296
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -9.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -82.537331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.537331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.537331 (E_RNA)
where:
Base-Base interactions energy: -29.842
where: short stacking energy: -29.842
Base-Backbone interact. energy: -0.007
local terms energy: -52.688178
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -8.572
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -9.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -85.336232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.336232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.336232 (E_RNA)
where:
Base-Base interactions energy: -38.786
where: short stacking energy: -26.733
Base-Backbone interact. energy: 0.292
local terms energy: -46.842078
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -10.529
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -7.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -72.349547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.349547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.349547 (E_RNA)
where:
Base-Base interactions energy: -26.853
where: short stacking energy: -26.853
Base-Backbone interact. energy: -0.003
local terms energy: -45.494138
where:
bonds (distance) C4'-P energy: -10.681
bonds (distance) P-C4' energy: -9.216
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -5.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -68.117446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.117446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.117446 (E_RNA)
where:
Base-Base interactions energy: -26.770
where: short stacking energy: -23.607
Base-Backbone interact. energy: -0.015
local terms energy: -41.331792
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -6.418
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -4.581
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: 9, replica: 2
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -70.507713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.507713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.507713 (E_RNA)
where:
Base-Base interactions energy: -23.065
where: short stacking energy: -23.065
Base-Backbone interact. energy: -0.121
local terms energy: -47.322092
where:
bonds (distance) C4'-P energy: -9.915
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -9.656
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: 10, replica: 6
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -65.559141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.559141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.559141 (E_RNA)
where:
Base-Base interactions energy: -19.765
where: short stacking energy: -19.765
Base-Backbone interact. energy: -0.182
local terms energy: -45.611861
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -7.096
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: 9
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -137.912241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.912241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.912241 (E_RNA)
where:
Base-Base interactions energy: -83.068
where: short stacking energy: -47.880
Base-Backbone interact. energy: -0.432
local terms energy: -54.412997
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -10.590
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -11.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -108.147969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.147969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.147969 (E_RNA)
where:
Base-Base interactions energy: -51.094
where: short stacking energy: -51.094
Base-Backbone interact. energy: -0.110
local terms energy: -56.943843
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -10.642
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -12.639
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: 18
Temperature: 1.000000
Total energy: -127.559891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.559891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.559891 (E_RNA)
where:
Base-Base interactions energy: -71.216
where: short stacking energy: -40.390
Base-Backbone interact. energy: -0.070
local terms energy: -56.273838
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -10.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -91.019231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.019231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.019231 (E_RNA)
where:
Base-Base interactions energy: -47.098
where: short stacking energy: -41.570
Base-Backbone interact. energy: 0.133
local terms energy: -44.054426
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -8.616
flat angles C4'-P-C4' energy: -8.198
flat angles P-C4'-P energy: -3.879
tors. eta vs tors. theta energy: -11.856
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: 5, replica: 7
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -75.636222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.636222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.636222 (E_RNA)
where:
Base-Base interactions energy: -25.330
where: short stacking energy: -25.330
Base-Backbone interact. energy: -0.057
local terms energy: -50.249106
where:
bonds (distance) C4'-P energy: -11.840
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -8.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -75.591710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.591710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.591710 (E_RNA)
where:
Base-Base interactions energy: -33.462
where: short stacking energy: -33.462
Base-Backbone interact. energy: -0.095
local terms energy: -42.034968
where:
bonds (distance) C4'-P energy: -7.124
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -8.919
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -5.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -73.561473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.561473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.561473 (E_RNA)
where:
Base-Base interactions energy: -23.878
where: short stacking energy: -23.878
Base-Backbone interact. energy: -0.139
local terms energy: -49.543854
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -11.208
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -4.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -76.848821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.848821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.848821 (E_RNA)
where:
Base-Base interactions energy: -33.528
where: short stacking energy: -29.615
Base-Backbone interact. energy: -0.039
local terms energy: -43.282427
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -8.839
flat angles C4'-P-C4' energy: -9.787
flat angles P-C4'-P energy: -6.918
tors. eta vs tors. theta energy: -5.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -70.042146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.042146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.042146 (E_RNA)
where:
Base-Base interactions energy: -29.269
where: short stacking energy: -29.269
Base-Backbone interact. energy: -0.221
local terms energy: -40.551814
where:
bonds (distance) C4'-P energy: -4.801
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -2.367
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: 6
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -59.828038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.828038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.828038 (E_RNA)
where:
Base-Base interactions energy: -27.856
where: short stacking energy: -23.904
Base-Backbone interact. energy: -0.482
local terms energy: -31.489791
where:
bonds (distance) C4'-P energy: -7.924
bonds (distance) P-C4' energy: -5.443
flat angles C4'-P-C4' energy: -9.958
flat angles P-C4'-P energy: -5.017
tors. eta vs tors. theta energy: -3.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -144.687040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.687040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.687040 (E_RNA)
where:
Base-Base interactions energy: -83.666
where: short stacking energy: -50.468
Base-Backbone interact. energy: -0.068
local terms energy: -60.952654
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -11.642
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -14.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -128.399068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.399068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.399068 (E_RNA)
where:
Base-Base interactions energy: -72.994
where: short stacking energy: -46.876
Base-Backbone interact. energy: -0.008
local terms energy: -55.397274
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -6.933
tors. eta vs tors. theta energy: -13.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -104.784111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.784111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.784111 (E_RNA)
where:
Base-Base interactions energy: -54.376
where: short stacking energy: -54.376
Base-Backbone interact. energy: -0.000
local terms energy: -50.408296
where:
bonds (distance) C4'-P energy: -8.956
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -10.552
flat angles P-C4'-P energy: -4.260
tors. eta vs tors. theta energy: -14.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -97.260671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.260671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.260671 (E_RNA)
where:
Base-Base interactions energy: -45.699
where: short stacking energy: -45.699
Base-Backbone interact. energy: -0.001
local terms energy: -51.560800
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -11.044
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -4.950
tors. eta vs tors. theta energy: -10.423
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: 7
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -70.905588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.905588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.905588 (E_RNA)
where:
Base-Base interactions energy: -24.462
where: short stacking energy: -24.440
Base-Backbone interact. energy: -0.297
local terms energy: -46.146355
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -10.808
flat angles C4'-P-C4' energy: -11.871
flat angles P-C4'-P energy: -6.830
tors. eta vs tors. theta energy: -4.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -75.601239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.601239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.601239 (E_RNA)
where:
Base-Base interactions energy: -28.357
where: short stacking energy: -28.357
Base-Backbone interact. energy: -0.001
local terms energy: -47.243326
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -8.260
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -7.070
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: 10
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -71.766399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.766399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.766399 (E_RNA)
where:
Base-Base interactions energy: -25.989
where: short stacking energy: -25.989
Base-Backbone interact. energy: -0.121
local terms energy: -45.655484
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -11.543
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: 0.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -79.216065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.216065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.216065 (E_RNA)
where:
Base-Base interactions energy: -37.736
where: short stacking energy: -32.522
Base-Backbone interact. energy: -0.300
local terms energy: -41.179771
where:
bonds (distance) C4'-P energy: -9.473
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -10.455
flat angles P-C4'-P energy: -5.037
tors. eta vs tors. theta energy: -2.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -67.517621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.517621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.517621 (E_RNA)
where:
Base-Base interactions energy: -24.015
where: short stacking energy: -24.015
Base-Backbone interact. energy: -0.020
local terms energy: -43.482928
where:
bonds (distance) C4'-P energy: -7.576
bonds (distance) P-C4' energy: -10.592
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -3.350
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: 6
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -63.940787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.940787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.940787 (E_RNA)
where:
Base-Base interactions energy: -18.395
where: short stacking energy: -18.395
Base-Backbone interact. energy: -0.266
local terms energy: -45.280065
where:
bonds (distance) C4'-P energy: -10.672
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -4.744
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: 9
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -148.051316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.051316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.051316 (E_RNA)
where:
Base-Base interactions energy: -86.945
where: short stacking energy: -54.721
Base-Backbone interact. energy: -0.001
local terms energy: -61.104840
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -10.916
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -14.835
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: 2, replica: 5
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -118.914488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.914488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.914488 (E_RNA)
where:
Base-Base interactions energy: -68.262
where: short stacking energy: -37.397
Base-Backbone interact. energy: -0.071
local terms energy: -50.581253
where:
bonds (distance) C4'-P energy: -11.794
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -7.388
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: 3, replica: 3
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -109.249476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.249476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.249476 (E_RNA)
where:
Base-Base interactions energy: -47.282
where: short stacking energy: -47.282
Base-Backbone interact. energy: -0.001
local terms energy: -61.966245
where:
bonds (distance) C4'-P energy: -11.795
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -8.601
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -18.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -99.495283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.495283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.495283 (E_RNA)
where:
Base-Base interactions energy: -43.794
where: short stacking energy: -43.794
Base-Backbone interact. energy: -0.098
local terms energy: -55.603462
where:
bonds (distance) C4'-P energy: -10.793
bonds (distance) P-C4' energy: -11.804
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -12.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -98.705277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.705277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.705277 (E_RNA)
where:
Base-Base interactions energy: -43.903
where: short stacking energy: -43.903
Base-Backbone interact. energy: -0.005
local terms energy: -54.797115
where:
bonds (distance) C4'-P energy: -10.566
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -8.638
flat angles P-C4'-P energy: -10.438
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: 6, replica: 7
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -81.228038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.228038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.228038 (E_RNA)
where:
Base-Base interactions energy: -37.128
where: short stacking energy: -37.128
Base-Backbone interact. energy: -0.005
local terms energy: -44.095579
where:
bonds (distance) C4'-P energy: -9.080
bonds (distance) P-C4' energy: -10.045
flat angles C4'-P-C4' energy: -10.763
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -7.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -80.636189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.636189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.636189 (E_RNA)
where:
Base-Base interactions energy: -39.923
where: short stacking energy: -27.540
Base-Backbone interact. energy: -0.134
local terms energy: -40.579256
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -8.087
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -2.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -73.416161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.416161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.416161 (E_RNA)
where:
Base-Base interactions energy: -35.281
where: short stacking energy: -30.915
Base-Backbone interact. energy: 0.372
local terms energy: -38.507346
where:
bonds (distance) C4'-P energy: -8.085
bonds (distance) P-C4' energy: -8.014
flat angles C4'-P-C4' energy: -10.448
flat angles P-C4'-P energy: -3.139
tors. eta vs tors. theta energy: -8.821
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: 6
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -62.887122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.887122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.887122 (E_RNA)
where:
Base-Base interactions energy: -20.033
where: short stacking energy: -20.033
Base-Backbone interact. energy: -0.345
local terms energy: -42.509675
where:
bonds (distance) C4'-P energy: -7.054
bonds (distance) P-C4' energy: -10.411
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -4.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -80.405516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.405516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.405516 (E_RNA)
where:
Base-Base interactions energy: -33.683
where: short stacking energy: -33.683
Base-Backbone interact. energy: -0.017
local terms energy: -46.705424
where:
bonds (distance) C4'-P energy: -9.169
bonds (distance) P-C4' energy: -9.393
flat angles C4'-P-C4' energy: -9.812
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -9.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -145.591325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.591325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.591325 (E_RNA)
where:
Base-Base interactions energy: -88.434
where: short stacking energy: -49.686
Base-Backbone interact. energy: -0.078
local terms energy: -57.079971
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -5.587
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: 2, replica: 5
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -131.257847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.257847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.257847 (E_RNA)
where:
Base-Base interactions energy: -78.122
where: short stacking energy: -44.109
Base-Backbone interact. energy: -0.102
local terms energy: -53.033808
where:
bonds (distance) C4'-P energy: -12.072
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -4.539
tors. eta vs tors. theta energy: -9.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -96.556447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.556447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.556447 (E_RNA)
where:
Base-Base interactions energy: -44.602
where: short stacking energy: -44.602
Base-Backbone interact. energy: 0.524
local terms energy: -52.478377
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -11.673
flat angles P-C4'-P energy: -5.787
tors. eta vs tors. theta energy: -11.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -84.938342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.938342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.938342 (E_RNA)
where:
Base-Base interactions energy: -33.840
where: short stacking energy: -33.840
Base-Backbone interact. energy: -0.007
local terms energy: -51.091168
where:
bonds (distance) C4'-P energy: -9.079
bonds (distance) P-C4' energy: -11.268
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -8.223
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: 1
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -73.958880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.958880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.958880 (E_RNA)
where:
Base-Base interactions energy: -26.236
where: short stacking energy: -23.999
Base-Backbone interact. energy: -0.227
local terms energy: -47.496030
where:
bonds (distance) C4'-P energy: -8.661
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -10.367
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -5.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -73.621440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.621440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.621440 (E_RNA)
where:
Base-Base interactions energy: -29.819
where: short stacking energy: -29.819
Base-Backbone interact. energy: -0.096
local terms energy: -43.706475
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -7.222
flat angles P-C4'-P energy: -2.856
tors. eta vs tors. theta energy: -7.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -69.972266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.972266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.972266 (E_RNA)
where:
Base-Base interactions energy: -39.318
where: short stacking energy: -23.361
Base-Backbone interact. energy: -0.085
local terms energy: -30.569183
where:
bonds (distance) C4'-P energy: -7.730
bonds (distance) P-C4' energy: -11.184
flat angles C4'-P-C4' energy: -9.291
flat angles P-C4'-P energy: -4.372
tors. eta vs tors. theta energy: 2.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -66.676410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.676410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.676410 (E_RNA)
where:
Base-Base interactions energy: -21.493
where: short stacking energy: -21.493
Base-Backbone interact. energy: 0.121
local terms energy: -45.304119
where:
bonds (distance) C4'-P energy: -9.907
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -7.169
flat angles P-C4'-P energy: -9.976
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: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -66.180056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.180056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.180056 (E_RNA)
where:
Base-Base interactions energy: -23.880
where: short stacking energy: -23.880
Base-Backbone interact. energy: -0.079
local terms energy: -42.221697
where:
bonds (distance) C4'-P energy: -10.362
bonds (distance) P-C4' energy: -9.579
flat angles C4'-P-C4' energy: -9.631
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -5.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -64.940584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.940584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.940584 (E_RNA)
where:
Base-Base interactions energy: -26.240
where: short stacking energy: -26.240
Base-Backbone interact. energy: -0.023
local terms energy: -38.677429
where:
bonds (distance) C4'-P energy: -8.902
bonds (distance) P-C4' energy: -9.858
flat angles C4'-P-C4' energy: -7.981
flat angles P-C4'-P energy: -4.618
tors. eta vs tors. theta energy: -7.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -132.911825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.911825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.911825 (E_RNA)
where:
Base-Base interactions energy: -73.451
where: short stacking energy: -48.477
Base-Backbone interact. energy: -0.015
local terms energy: -59.445279
where:
bonds (distance) C4'-P energy: -10.607
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -13.290
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: 9
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -132.727746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.727746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.727746 (E_RNA)
where:
Base-Base interactions energy: -74.083
where: short stacking energy: -46.901
Base-Backbone interact. energy: -0.002
local terms energy: -58.643209
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -10.775
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -11.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -95.187561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.187561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.187561 (E_RNA)
where:
Base-Base interactions energy: -44.560
where: short stacking energy: -43.980
Base-Backbone interact. energy: -0.083
local terms energy: -50.545053
where:
bonds (distance) C4'-P energy: -8.346
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -10.365
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -8.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -90.803942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.803942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.803942 (E_RNA)
where:
Base-Base interactions energy: -35.141
where: short stacking energy: -35.127
Base-Backbone interact. energy: -0.048
local terms energy: -55.615853
where:
bonds (distance) C4'-P energy: -10.913
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -8.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -81.545328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.545328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.545328 (E_RNA)
where:
Base-Base interactions energy: -33.669
where: short stacking energy: -33.669
Base-Backbone interact. energy: 0.421
local terms energy: -48.297092
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -11.406
flat angles P-C4'-P energy: -5.569
tors. eta vs tors. theta energy: -7.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -75.042266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.042266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.042266 (E_RNA)
where:
Base-Base interactions energy: -34.229
where: short stacking energy: -34.012
Base-Backbone interact. energy: 1.282
local terms energy: -42.096002
where:
bonds (distance) C4'-P energy: -6.756
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -11.548
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -3.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -78.661056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.661056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.661056 (E_RNA)
where:
Base-Base interactions energy: -39.538
where: short stacking energy: -22.410
Base-Backbone interact. energy: -0.051
local terms energy: -39.072411
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -10.783
flat angles C4'-P-C4' energy: -8.259
flat angles P-C4'-P energy: -4.130
tors. eta vs tors. theta energy: -4.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -68.507041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.507041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.507041 (E_RNA)
where:
Base-Base interactions energy: -31.165
where: short stacking energy: -20.616
Base-Backbone interact. energy: -0.408
local terms energy: -36.934518
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -7.742
flat angles C4'-P-C4' energy: -10.224
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: 0.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -63.814478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.814478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.814478 (E_RNA)
where:
Base-Base interactions energy: -20.518
where: short stacking energy: -20.518
Base-Backbone interact. energy: -0.019
local terms energy: -43.277519
where:
bonds (distance) C4'-P energy: -9.729
bonds (distance) P-C4' energy: -9.191
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -2.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -79.935228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.935228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.935228 (E_RNA)
where:
Base-Base interactions energy: -44.807
where: short stacking energy: -22.768
Base-Backbone interact. energy: -0.749
local terms energy: -34.379587
where:
bonds (distance) C4'-P energy: -6.301
bonds (distance) P-C4' energy: -10.439
flat angles C4'-P-C4' energy: -8.457
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -2.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -134.608230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.608230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.608230 (E_RNA)
where:
Base-Base interactions energy: -78.807
where: short stacking energy: -43.798
Base-Backbone interact. energy: -0.176
local terms energy: -55.625547
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: -12.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -125.903754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.903754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.903754 (E_RNA)
where:
Base-Base interactions energy: -71.587
where: short stacking energy: -45.576
Base-Backbone interact. energy: -1.200
local terms energy: -53.117059
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -8.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -93.568817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.568817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.568817 (E_RNA)
where:
Base-Base interactions energy: -44.654
where: short stacking energy: -44.654
Base-Backbone interact. energy: 2.791
local terms energy: -51.705487
where:
bonds (distance) C4'-P energy: -10.636
bonds (distance) P-C4' energy: -9.623
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -10.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -88.468274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.468274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.468274 (E_RNA)
where:
Base-Base interactions energy: -42.535
where: short stacking energy: -36.937
Base-Backbone interact. energy: -0.046
local terms energy: -45.888229
where:
bonds (distance) C4'-P energy: -8.595
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -6.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -88.643554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.643554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.643554 (E_RNA)
where:
Base-Base interactions energy: -36.232
where: short stacking energy: -36.232
Base-Backbone interact. energy: -0.004
local terms energy: -52.407423
where:
bonds (distance) C4'-P energy: -9.193
bonds (distance) P-C4' energy: -11.642
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -10.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -85.954883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.954883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.954883 (E_RNA)
where:
Base-Base interactions energy: -38.776
where: short stacking energy: -29.904
Base-Backbone interact. energy: -0.182
local terms energy: -46.997466
where:
bonds (distance) C4'-P energy: -8.486
bonds (distance) P-C4' energy: -10.907
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -4.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -76.230534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.230534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.230534 (E_RNA)
where:
Base-Base interactions energy: -38.647
where: short stacking energy: -31.934
Base-Backbone interact. energy: -0.427
local terms energy: -37.156635
where:
bonds (distance) C4'-P energy: -8.193
bonds (distance) P-C4' energy: -8.977
flat angles C4'-P-C4' energy: -9.741
flat angles P-C4'-P energy: -6.109
tors. eta vs tors. theta energy: -4.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -74.850958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.850958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.850958 (E_RNA)
where:
Base-Base interactions energy: -32.514
where: short stacking energy: -25.650
Base-Backbone interact. energy: -0.228
local terms energy: -42.108407
where:
bonds (distance) C4'-P energy: -9.291
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -7.586
flat angles P-C4'-P energy: -4.424
tors. eta vs tors. theta energy: -8.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -65.585538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.585538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.585538 (E_RNA)
where:
Base-Base interactions energy: -25.552
where: short stacking energy: -25.552
Base-Backbone interact. energy: -0.048
local terms energy: -39.986175
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -11.399
flat angles C4'-P-C4' energy: -8.865
flat angles P-C4'-P energy: -2.924
tors. eta vs tors. theta energy: -5.454
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: 4
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -82.929774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.929774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.929774 (E_RNA)
where:
Base-Base interactions energy: -50.155
where: short stacking energy: -19.698
Base-Backbone interact. energy: -0.067
local terms energy: -32.707776
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -9.434
flat angles C4'-P-C4' energy: -9.050
flat angles P-C4'-P energy: 1.049
tors. eta vs tors. theta energy: -4.186
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: 9
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -127.703435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.703435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.703435 (E_RNA)
where:
Base-Base interactions energy: -81.086
where: short stacking energy: -41.620
Base-Backbone interact. energy: -0.072
local terms energy: -46.545433
where:
bonds (distance) C4'-P energy: -9.989
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -4.165
tors. eta vs tors. theta energy: -7.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -129.840537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.840537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.840537 (E_RNA)
where:
Base-Base interactions energy: -74.791
where: short stacking energy: -42.672
Base-Backbone interact. energy: -0.121
local terms energy: -54.928777
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -10.618
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -9.726
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: 3, replica: 2
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -100.463194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.463194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.463194 (E_RNA)
where:
Base-Base interactions energy: -44.137
where: short stacking energy: -44.137
Base-Backbone interact. energy: -0.052
local terms energy: -56.274049
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -9.884
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -11.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -103.941360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.941360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.941360 (E_RNA)
where:
Base-Base interactions energy: -43.037
where: short stacking energy: -43.037
Base-Backbone interact. energy: -0.065
local terms energy: -60.838696
where:
bonds (distance) C4'-P energy: -11.227
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -11.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -73.989696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.989696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.989696 (E_RNA)
where:
Base-Base interactions energy: -32.012
where: short stacking energy: -32.012
Base-Backbone interact. energy: 3.006
local terms energy: -44.983634
where:
bonds (distance) C4'-P energy: -10.979
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -9.448
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -4.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -76.077146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.077146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.077146 (E_RNA)
where:
Base-Base interactions energy: -36.843
where: short stacking energy: -19.406
Base-Backbone interact. energy: -0.584
local terms energy: -38.650963
where:
bonds (distance) C4'-P energy: -10.474
bonds (distance) P-C4' energy: -11.403
flat angles C4'-P-C4' energy: -9.422
flat angles P-C4'-P energy: -2.702
tors. eta vs tors. theta energy: -4.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -77.898319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.898319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.898319 (E_RNA)
where:
Base-Base interactions energy: -28.293
where: short stacking energy: -28.341
Base-Backbone interact. energy: -0.184
local terms energy: -49.421420
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -11.253
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -4.561
tors. eta vs tors. theta energy: -9.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -64.432099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.432099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.432099 (E_RNA)
where:
Base-Base interactions energy: -26.318
where: short stacking energy: -24.690
Base-Backbone interact. energy: 0.098
local terms energy: -38.211831
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -9.595
flat angles C4'-P-C4' energy: -5.938
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -2.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -67.686237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.686237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.686237 (E_RNA)
where:
Base-Base interactions energy: -30.928
where: short stacking energy: -28.814
Base-Backbone interact. energy: -0.057
local terms energy: -36.701645
where:
bonds (distance) C4'-P energy: -5.531
bonds (distance) P-C4' energy: -10.424
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -4.916
tors. eta vs tors. theta energy: -3.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -60.240025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.240025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.240025 (E_RNA)
where:
Base-Base interactions energy: -21.690
where: short stacking energy: -19.798
Base-Backbone interact. energy: 0.322
local terms energy: -38.872889
where:
bonds (distance) C4'-P energy: -8.127
bonds (distance) P-C4' energy: -9.314
flat angles C4'-P-C4' energy: -7.372
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -3.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -138.921421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.921421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.921421 (E_RNA)
where:
Base-Base interactions energy: -80.732
where: short stacking energy: -50.490
Base-Backbone interact. energy: -0.004
local terms energy: -58.185227
where:
bonds (distance) C4'-P energy: -10.441
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -14.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -120.093232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.093232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.093232 (E_RNA)
where:
Base-Base interactions energy: -63.843
where: short stacking energy: -38.140
Base-Backbone interact. energy: -0.050
local terms energy: -56.200292
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -10.467
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -9.015
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: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -97.345277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.345277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.345277 (E_RNA)
where:
Base-Base interactions energy: -43.695
where: short stacking energy: -43.695
Base-Backbone interact. energy: -0.001
local terms energy: -53.649121
where:
bonds (distance) C4'-P energy: -9.204
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -12.060
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -12.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -77.039680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.039680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.039680 (E_RNA)
where:
Base-Base interactions energy: -31.083
where: short stacking energy: -29.947
Base-Backbone interact. energy: -0.103
local terms energy: -45.853813
where:
bonds (distance) C4'-P energy: -9.606
bonds (distance) P-C4' energy: -8.720
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -3.435
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: 3
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -86.576796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.576796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.576796 (E_RNA)
where:
Base-Base interactions energy: -37.230
where: short stacking energy: -37.127
Base-Backbone interact. energy: -0.145
local terms energy: -49.201902
where:
bonds (distance) C4'-P energy: -10.891
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -11.128
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -7.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -77.814932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.814932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.814932 (E_RNA)
where:
Base-Base interactions energy: -40.983
where: short stacking energy: -30.947
Base-Backbone interact. energy: -0.014
local terms energy: -36.818675
where:
bonds (distance) C4'-P energy: -9.195
bonds (distance) P-C4' energy: -8.504
flat angles C4'-P-C4' energy: -9.165
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -2.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -74.585669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.585669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.585669 (E_RNA)
where:
Base-Base interactions energy: -34.940
where: short stacking energy: -34.940
Base-Backbone interact. energy: -0.405
local terms energy: -39.240245
where:
bonds (distance) C4'-P energy: -5.155
bonds (distance) P-C4' energy: -7.467
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -5.381
tors. eta vs tors. theta energy: -9.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -71.246865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.246865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.246865 (E_RNA)
where:
Base-Base interactions energy: -28.383
where: short stacking energy: -28.383
Base-Backbone interact. energy: -0.075
local terms energy: -42.788586
where:
bonds (distance) C4'-P energy: -7.133
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -0.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -59.917861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.917861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.917861 (E_RNA)
where:
Base-Base interactions energy: -19.706
where: short stacking energy: -19.404
Base-Backbone interact. energy: -0.049
local terms energy: -40.162697
where:
bonds (distance) C4'-P energy: -10.573
bonds (distance) P-C4' energy: -11.578
flat angles C4'-P-C4' energy: -7.790
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -2.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -66.430918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.430918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.430918 (E_RNA)
where:
Base-Base interactions energy: -22.350
where: short stacking energy: -22.350
Base-Backbone interact. energy: -0.733
local terms energy: -43.347751
where:
bonds (distance) C4'-P energy: -6.462
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -3.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -135.087941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.087941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.087941 (E_RNA)
where:
Base-Base interactions energy: -79.214
where: short stacking energy: -48.687
Base-Backbone interact. energy: -0.002
local terms energy: -55.871859
where:
bonds (distance) C4'-P energy: -10.421
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -6.193
tors. eta vs tors. theta energy: -12.900
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: 9
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -123.799924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.799924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.799924 (E_RNA)
where:
Base-Base interactions energy: -72.413
where: short stacking energy: -31.810
Base-Backbone interact. energy: -0.033
local terms energy: -51.354177
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -9.691
flat angles P-C4'-P energy: -6.942
tors. eta vs tors. theta energy: -8.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -103.790258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.790258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.790258 (E_RNA)
where:
Base-Base interactions energy: -48.756
where: short stacking energy: -48.756
Base-Backbone interact. energy: -0.002
local terms energy: -55.031650
where:
bonds (distance) C4'-P energy: -7.536
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -14.429
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: 4, replica: 1
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -102.341143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.341143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.341143 (E_RNA)
where:
Base-Base interactions energy: -51.784
where: short stacking energy: -40.907
Base-Backbone interact. energy: -0.178
local terms energy: -50.379119
where:
bonds (distance) C4'-P energy: -10.110
bonds (distance) P-C4' energy: -10.130
flat angles C4'-P-C4' energy: -10.678
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -10.521
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: 5, replica: 6
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -87.234185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.234185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.234185 (E_RNA)
where:
Base-Base interactions energy: -34.071
where: short stacking energy: -34.071
Base-Backbone interact. energy: -0.143
local terms energy: -53.020582
where:
bonds (distance) C4'-P energy: -10.441
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -7.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -70.607815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.607815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.607815 (E_RNA)
where:
Base-Base interactions energy: -25.652
where: short stacking energy: -22.038
Base-Backbone interact. energy: -0.111
local terms energy: -44.844491
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -10.783
flat angles C4'-P-C4' energy: -11.890
flat angles P-C4'-P energy: -3.953
tors. eta vs tors. theta energy: -6.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -76.947252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.947252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.947252 (E_RNA)
where:
Base-Base interactions energy: -32.997
where: short stacking energy: -29.687
Base-Backbone interact. energy: -0.014
local terms energy: -43.936278
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -4.493
tors. eta vs tors. theta energy: -1.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -65.063559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.063559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.063559 (E_RNA)
where:
Base-Base interactions energy: -29.204
where: short stacking energy: -19.841
Base-Backbone interact. energy: -0.060
local terms energy: -35.798862
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -11.605
flat angles C4'-P-C4' energy: -9.235
flat angles P-C4'-P energy: -0.925
tors. eta vs tors. theta energy: -1.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -63.388930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.388930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.388930 (E_RNA)
where:
Base-Base interactions energy: -24.063
where: short stacking energy: -24.063
Base-Backbone interact. energy: -0.173
local terms energy: -39.152455
where:
bonds (distance) C4'-P energy: -7.866
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -10.476
flat angles P-C4'-P energy: -4.797
tors. eta vs tors. theta energy: -2.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -58.236130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.236130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.236130 (E_RNA)
where:
Base-Base interactions energy: -20.216
where: short stacking energy: -20.216
Base-Backbone interact. energy: -0.242
local terms energy: -37.777809
where:
bonds (distance) C4'-P energy: -10.044
bonds (distance) P-C4' energy: -11.645
flat angles C4'-P-C4' energy: -7.366
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -0.579
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: 1, replica: 5
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -131.450769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.450769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.450769 (E_RNA)
where:
Base-Base interactions energy: -71.298
where: short stacking energy: -46.204
Base-Backbone interact. energy: -0.002
local terms energy: -60.150010
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -12.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -119.214887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.214887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.214887 (E_RNA)
where:
Base-Base interactions energy: -67.382
where: short stacking energy: -39.349
Base-Backbone interact. energy: 0.326
local terms energy: -52.158586
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -10.917
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -8.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -100.851255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.851255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.851255 (E_RNA)
where:
Base-Base interactions energy: -45.029
where: short stacking energy: -45.029
Base-Backbone interact. energy: -0.010
local terms energy: -55.812027
where:
bonds (distance) C4'-P energy: -11.195
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -14.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -87.993929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.993929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.993929 (E_RNA)
where:
Base-Base interactions energy: -32.906
where: short stacking energy: -32.906
Base-Backbone interact. energy: 0.486
local terms energy: -55.573431
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -6.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -85.794027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.794027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.794027 (E_RNA)
where:
Base-Base interactions energy: -41.103
where: short stacking energy: -29.593
Base-Backbone interact. energy: -0.091
local terms energy: -44.599965
where:
bonds (distance) C4'-P energy: -8.425
bonds (distance) P-C4' energy: -10.525
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -4.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -71.311014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.311014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.311014 (E_RNA)
where:
Base-Base interactions energy: -32.130
where: short stacking energy: -32.130
Base-Backbone interact. energy: -0.130
local terms energy: -39.050980
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -10.718
flat angles C4'-P-C4' energy: -8.600
flat angles P-C4'-P energy: -0.995
tors. eta vs tors. theta energy: -8.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -71.578803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.578803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.578803 (E_RNA)
where:
Base-Base interactions energy: -32.577
where: short stacking energy: -32.577
Base-Backbone interact. energy: -0.360
local terms energy: -38.642457
where:
bonds (distance) C4'-P energy: -10.487
bonds (distance) P-C4' energy: -3.162
flat angles C4'-P-C4' energy: -11.578
flat angles P-C4'-P energy: -5.962
tors. eta vs tors. theta energy: -7.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -70.071334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.071334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.071334 (E_RNA)
where:
Base-Base interactions energy: -25.410
where: short stacking energy: -25.410
Base-Backbone interact. energy: -0.093
local terms energy: -44.568185
where:
bonds (distance) C4'-P energy: -10.341
bonds (distance) P-C4' energy: -11.292
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -5.163
tors. eta vs tors. theta energy: -6.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -64.183236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.183236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.183236 (E_RNA)
where:
Base-Base interactions energy: -18.946
where: short stacking energy: -18.946
Base-Backbone interact. energy: -0.025
local terms energy: -45.212101
where:
bonds (distance) C4'-P energy: -10.565
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -6.111
tors. eta vs tors. theta energy: -2.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -62.678571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.678571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.678571 (E_RNA)
where:
Base-Base interactions energy: -25.578
where: short stacking energy: -22.914
Base-Backbone interact. energy: -0.939
local terms energy: -36.161519
where:
bonds (distance) C4'-P energy: -8.644
bonds (distance) P-C4' energy: -7.850
flat angles C4'-P-C4' energy: -8.766
flat angles P-C4'-P energy: -6.844
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: 9
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -140.076985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.076985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.076985 (E_RNA)
where:
Base-Base interactions energy: -82.732
where: short stacking energy: -46.039
Base-Backbone interact. energy: 1.507
local terms energy: -58.852078
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -10.538
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -13.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -117.168430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.168430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.168430 (E_RNA)
where:
Base-Base interactions energy: -64.180
where: short stacking energy: -30.350
Base-Backbone interact. energy: -0.147
local terms energy: -52.841833
where:
bonds (distance) C4'-P energy: -8.964
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -11.884
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -7.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -106.033957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.033957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.033957 (E_RNA)
where:
Base-Base interactions energy: -49.635
where: short stacking energy: -49.635
Base-Backbone interact. energy: -0.053
local terms energy: -56.346769
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -3.376
tors. eta vs tors. theta energy: -14.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -84.847275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.847275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.847275 (E_RNA)
where:
Base-Base interactions energy: -42.327
where: short stacking energy: -30.639
Base-Backbone interact. energy: -0.029
local terms energy: -42.492139
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -11.160
flat angles C4'-P-C4' energy: -10.067
flat angles P-C4'-P energy: -5.572
tors. eta vs tors. theta energy: -4.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -80.603002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.603002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.603002 (E_RNA)
where:
Base-Base interactions energy: -33.917
where: short stacking energy: -33.917
Base-Backbone interact. energy: -0.030
local terms energy: -46.656009
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -8.763
flat angles C4'-P-C4' energy: -10.248
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -7.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -81.194716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.194716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.194716 (E_RNA)
where:
Base-Base interactions energy: -32.230
where: short stacking energy: -32.230
Base-Backbone interact. energy: -0.179
local terms energy: -48.785712
where:
bonds (distance) C4'-P energy: -10.333
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -9.719
flat angles P-C4'-P energy: -9.064
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: 7, replica: 8
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -85.636955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.636955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.636955 (E_RNA)
where:
Base-Base interactions energy: -32.281
where: short stacking energy: -32.281
Base-Backbone interact. energy: -0.001
local terms energy: -53.354582
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -12.234
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -9.874
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: 8, replica: 3
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -67.950892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.950892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.950892 (E_RNA)
where:
Base-Base interactions energy: -24.117
where: short stacking energy: -22.714
Base-Backbone interact. energy: -0.348
local terms energy: -43.485303
where:
bonds (distance) C4'-P energy: -9.302
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -12.774
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: -3.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -67.889011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.889011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.889011 (E_RNA)
where:
Base-Base interactions energy: -22.848
where: short stacking energy: -22.848
Base-Backbone interact. energy: -0.579
local terms energy: -44.461933
where:
bonds (distance) C4'-P energy: -9.894
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -9.491
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -65.356253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.356253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.356253 (E_RNA)
where:
Base-Base interactions energy: -28.562
where: short stacking energy: -28.562
Base-Backbone interact. energy: -0.005
local terms energy: -36.789526
where:
bonds (distance) C4'-P energy: -9.126
bonds (distance) P-C4' energy: -7.346
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -3.950
tors. eta vs tors. theta energy: -4.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -127.665205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.665205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.665205 (E_RNA)
where:
Base-Base interactions energy: -75.711
where: short stacking energy: -41.341
Base-Backbone interact. energy: -0.020
local terms energy: -51.934647
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -6.544
tors. eta vs tors. theta energy: -9.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -120.238833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.238833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.238833 (E_RNA)
where:
Base-Base interactions energy: -70.077
where: short stacking energy: -43.601
Base-Backbone interact. energy: -0.041
local terms energy: -50.121254
where:
bonds (distance) C4'-P energy: -8.599
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -9.393
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -9.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -102.257255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.257255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.257255 (E_RNA)
where:
Base-Base interactions energy: -48.321
where: short stacking energy: -48.321
Base-Backbone interact. energy: -0.152
local terms energy: -53.783342
where:
bonds (distance) C4'-P energy: -9.113
bonds (distance) P-C4' energy: -9.119
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -7.386
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: 4, replica: 4
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -94.197329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.197329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.197329 (E_RNA)
where:
Base-Base interactions energy: -38.156
where: short stacking energy: -38.156
Base-Backbone interact. energy: -0.038
local terms energy: -56.003919
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -9.022
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -13.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -85.406561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.406561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.406561 (E_RNA)
where:
Base-Base interactions energy: -34.823
where: short stacking energy: -34.823
Base-Backbone interact. energy: -0.089
local terms energy: -50.494019
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: -9.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -83.008915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.008915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.008915 (E_RNA)
where:
Base-Base interactions energy: -36.431
where: short stacking energy: -33.167
Base-Backbone interact. energy: -0.251
local terms energy: -46.326456
where:
bonds (distance) C4'-P energy: -9.736
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -11.842
flat angles P-C4'-P energy: -3.868
tors. eta vs tors. theta energy: -8.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -68.521623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.521623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.521623 (E_RNA)
where:
Base-Base interactions energy: -30.430
where: short stacking energy: -27.501
Base-Backbone interact. energy: -0.087
local terms energy: -38.004658
where:
bonds (distance) C4'-P energy: -10.776
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -3.777
flat angles P-C4'-P energy: -6.995
tors. eta vs tors. theta energy: -4.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -65.248396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.248396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.248396 (E_RNA)
where:
Base-Base interactions energy: -27.042
where: short stacking energy: -27.142
Base-Backbone interact. energy: -0.245
local terms energy: -37.961745
where:
bonds (distance) C4'-P energy: -8.780
bonds (distance) P-C4' energy: -10.924
flat angles C4'-P-C4' energy: -10.150
flat angles P-C4'-P energy: -4.579
tors. eta vs tors. theta energy: -3.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -87.736487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.736487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.736487 (E_RNA)
where:
Base-Base interactions energy: -48.964
where: short stacking energy: -25.967
Base-Backbone interact. energy: -0.170
local terms energy: -38.602293
where:
bonds (distance) C4'-P energy: -7.805
bonds (distance) P-C4' energy: -10.863
flat angles C4'-P-C4' energy: -8.474
flat angles P-C4'-P energy: -5.029
tors. eta vs tors. theta energy: -6.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -58.123713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.123713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.123713 (E_RNA)
where:
Base-Base interactions energy: -16.637
where: short stacking energy: -16.200
Base-Backbone interact. energy: -0.011
local terms energy: -41.474912
where:
bonds (distance) C4'-P energy: -10.143
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -7.457
flat angles P-C4'-P energy: -6.211
tors. eta vs tors. theta energy: -3.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -132.100515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.100515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.100515 (E_RNA)
where:
Base-Base interactions energy: -76.331
where: short stacking energy: -49.200
Base-Backbone interact. energy: -0.009
local terms energy: -55.760321
where:
bonds (distance) C4'-P energy: -10.094
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -10.696
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -14.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -129.072808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.072808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.072808 (E_RNA)
where:
Base-Base interactions energy: -75.954
where: short stacking energy: -42.567
Base-Backbone interact. energy: -0.050
local terms energy: -53.068578
where:
bonds (distance) C4'-P energy: -10.660
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -6.985
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: 3, replica: 4
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -131.454513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.454513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.454513 (E_RNA)
where:
Base-Base interactions energy: -77.059
where: short stacking energy: -43.935
Base-Backbone interact. energy: -0.005
local terms energy: -54.390733
where:
bonds (distance) C4'-P energy: -10.259
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -10.163
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: 2
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -91.513264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.513264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.513264 (E_RNA)
where:
Base-Base interactions energy: -39.013
where: short stacking energy: -39.013
Base-Backbone interact. energy: -0.297
local terms energy: -52.203430
where:
bonds (distance) C4'-P energy: -11.795
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -5.672
tors. eta vs tors. theta energy: -10.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -87.017502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.017502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.017502 (E_RNA)
where:
Base-Base interactions energy: -35.732
where: short stacking energy: -35.732
Base-Backbone interact. energy: -0.002
local terms energy: -51.284175
where:
bonds (distance) C4'-P energy: -9.734
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: -10.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -84.713528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.713528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.713528 (E_RNA)
where:
Base-Base interactions energy: -32.626
where: short stacking energy: -32.626
Base-Backbone interact. energy: -0.003
local terms energy: -52.083691
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -11.352
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -8.020
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: 7, replica: 10
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -78.833646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.833646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.833646 (E_RNA)
where:
Base-Base interactions energy: -28.643
where: short stacking energy: -28.643
Base-Backbone interact. energy: -0.059
local terms energy: -50.131655
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -9.803
flat angles P-C4'-P energy: -7.385
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: 8, replica: 1
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -70.889064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.889064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.889064 (E_RNA)
where:
Base-Base interactions energy: -28.515
where: short stacking energy: -27.096
Base-Backbone interact. energy: -0.255
local terms energy: -42.118658
where:
bonds (distance) C4'-P energy: -10.135
bonds (distance) P-C4' energy: -12.034
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -0.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -63.703205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.703205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.703205 (E_RNA)
where:
Base-Base interactions energy: -24.322
where: short stacking energy: -24.322
Base-Backbone interact. energy: -0.186
local terms energy: -39.194903
where:
bonds (distance) C4'-P energy: -8.000
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -9.684
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: -3.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -65.976901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.976901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.976901 (E_RNA)
where:
Base-Base interactions energy: -22.721
where: short stacking energy: -22.721
Base-Backbone interact. energy: -0.004
local terms energy: -43.252385
where:
bonds (distance) C4'-P energy: -11.170
bonds (distance) P-C4' energy: -7.824
flat angles C4'-P-C4' energy: -10.706
flat angles P-C4'-P energy: -6.510
tors. eta vs tors. theta energy: -7.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -126.531083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.531083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.531083 (E_RNA)
where:
Base-Base interactions energy: -69.182
where: short stacking energy: -38.633
Base-Backbone interact. energy: -0.173
local terms energy: -57.175528
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -12.346
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -11.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -133.596953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.596953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.596953 (E_RNA)
where:
Base-Base interactions energy: -75.399
where: short stacking energy: -47.080
Base-Backbone interact. energy: -0.854
local terms energy: -57.343843
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -10.827
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -12.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -116.300202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.300202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.300202 (E_RNA)
where:
Base-Base interactions energy: -64.978
where: short stacking energy: -35.509
Base-Backbone interact. energy: -0.023
local terms energy: -51.298910
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -11.067
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -6.688
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: 4, replica: 2
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -82.075157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.075157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.075157 (E_RNA)
where:
Base-Base interactions energy: -32.490
where: short stacking energy: -30.575
Base-Backbone interact. energy: -0.709
local terms energy: -48.876027
where:
bonds (distance) C4'-P energy: -10.039
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -5.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -80.177619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.177619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.177619 (E_RNA)
where:
Base-Base interactions energy: -30.736
where: short stacking energy: -30.736
Base-Backbone interact. energy: 1.481
local terms energy: -50.923060
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -6.273
tors. eta vs tors. theta energy: -6.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -77.890380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.890380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.890380 (E_RNA)
where:
Base-Base interactions energy: -32.439
where: short stacking energy: -32.439
Base-Backbone interact. energy: -0.044
local terms energy: -45.407195
where:
bonds (distance) C4'-P energy: -8.160
bonds (distance) P-C4' energy: -10.301
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -6.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -81.921723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.921723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.921723 (E_RNA)
where:
Base-Base interactions energy: -37.317
where: short stacking energy: -37.317
Base-Backbone interact. energy: -0.090
local terms energy: -44.514703
where:
bonds (distance) C4'-P energy: -7.466
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -11.412
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -6.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -68.108071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.108071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.108071 (E_RNA)
where:
Base-Base interactions energy: -19.214
where: short stacking energy: -19.214
Base-Backbone interact. energy: -0.122
local terms energy: -48.772622
where:
bonds (distance) C4'-P energy: -11.373
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -4.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -59.866857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.866857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.866857 (E_RNA)
where:
Base-Base interactions energy: -17.832
where: short stacking energy: -17.832
Base-Backbone interact. energy: -0.162
local terms energy: -41.872549
where:
bonds (distance) C4'-P energy: -10.072
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -7.279
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -1.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -55.707730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.707730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.707730 (E_RNA)
where:
Base-Base interactions energy: -27.054
where: short stacking energy: -15.521
Base-Backbone interact. energy: -0.672
local terms energy: -27.981516
where:
bonds (distance) C4'-P energy: -7.873
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -3.620
flat angles P-C4'-P energy: -6.438
tors. eta vs tors. theta energy: 1.249
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: 4
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -135.446349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.446349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.446349 (E_RNA)
where:
Base-Base interactions energy: -79.054
where: short stacking energy: -48.232
Base-Backbone interact. energy: -0.006
local terms energy: -56.386487
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -9.165
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -12.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -115.793207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.793207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.793207 (E_RNA)
where:
Base-Base interactions energy: -65.912
where: short stacking energy: -28.015
Base-Backbone interact. energy: 0.020
local terms energy: -49.900739
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -9.761
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -5.346
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: 3, replica: 5
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -128.884560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.884560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.884560 (E_RNA)
where:
Base-Base interactions energy: -70.919
where: short stacking energy: -42.363
Base-Backbone interact. energy: -0.005
local terms energy: -57.961097
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -11.140
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -11.066
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: 2
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -85.905236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.905236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.905236 (E_RNA)
where:
Base-Base interactions energy: -34.469
where: short stacking energy: -34.469
Base-Backbone interact. energy: -0.070
local terms energy: -51.365834
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -9.873
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: -10.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -84.810836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.810836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.810836 (E_RNA)
where:
Base-Base interactions energy: -36.926
where: short stacking energy: -36.926
Base-Backbone interact. energy: -0.012
local terms energy: -47.872975
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -12.929
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -4.441
tors. eta vs tors. theta energy: -6.870
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: 8
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -79.183798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.183798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.183798 (E_RNA)
where:
Base-Base interactions energy: -31.168
where: short stacking energy: -31.168
Base-Backbone interact. energy: -0.129
local terms energy: -47.886817
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -9.606
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -5.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -68.880996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.880996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.880996 (E_RNA)
where:
Base-Base interactions energy: -24.653
where: short stacking energy: -24.653
Base-Backbone interact. energy: -0.023
local terms energy: -44.205703
where:
bonds (distance) C4'-P energy: -10.324
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -10.004
flat angles P-C4'-P energy: -5.296
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: 8, replica: 7
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -71.183272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.183272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.183272 (E_RNA)
where:
Base-Base interactions energy: -28.289
where: short stacking energy: -28.289
Base-Backbone interact. energy: -0.049
local terms energy: -42.844559
where:
bonds (distance) C4'-P energy: -7.983
bonds (distance) P-C4' energy: -10.454
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -1.982
tors. eta vs tors. theta energy: -9.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -60.468584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.468584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.468584 (E_RNA)
where:
Base-Base interactions energy: -30.484
where: short stacking energy: -29.639
Base-Backbone interact. energy: 0.006
local terms energy: -29.990143
where:
bonds (distance) C4'-P energy: -8.209
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -2.530
flat angles P-C4'-P energy: -5.472
tors. eta vs tors. theta energy: -1.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -64.414499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.414499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.414499 (E_RNA)
where:
Base-Base interactions energy: -25.596
where: short stacking energy: -25.596
Base-Backbone interact. energy: -0.117
local terms energy: -38.701422
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -7.548
flat angles C4'-P-C4' energy: -9.180
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -1.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -142.477580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.477580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.477580 (E_RNA)
where:
Base-Base interactions energy: -81.520
where: short stacking energy: -51.159
Base-Backbone interact. energy: 0.723
local terms energy: -61.680594
where:
bonds (distance) C4'-P energy: -13.078
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -13.204
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: 2, replica: 5
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -130.534985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.534985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.534985 (E_RNA)
where:
Base-Base interactions energy: -77.354
where: short stacking energy: -40.342
Base-Backbone interact. energy: -0.406
local terms energy: -52.775050
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -10.627
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -10.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -120.978822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.978822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.978822 (E_RNA)
where:
Base-Base interactions energy: -73.801
where: short stacking energy: -36.943
Base-Backbone interact. energy: -0.004
local terms energy: -47.173607
where:
bonds (distance) C4'-P energy: -9.269
bonds (distance) P-C4' energy: -9.470
flat angles C4'-P-C4' energy: -6.637
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -12.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -92.308837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.308837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.308837 (E_RNA)
where:
Base-Base interactions energy: -41.643
where: short stacking energy: -38.686
Base-Backbone interact. energy: -0.100
local terms energy: -50.566254
where:
bonds (distance) C4'-P energy: -11.058
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: -7.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -97.648658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.648658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.648658 (E_RNA)
where:
Base-Base interactions energy: -47.208
where: short stacking energy: -43.633
Base-Backbone interact. energy: -0.153
local terms energy: -50.287535
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -3.261
tors. eta vs tors. theta energy: -8.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -72.478034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.478034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.478034 (E_RNA)
where:
Base-Base interactions energy: -31.238
where: short stacking energy: -25.133
Base-Backbone interact. energy: -0.036
local terms energy: -41.204280
where:
bonds (distance) C4'-P energy: -8.840
bonds (distance) P-C4' energy: -10.049
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -5.734
tors. eta vs tors. theta energy: -2.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -87.129778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.129778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.129778 (E_RNA)
where:
Base-Base interactions energy: -44.575
where: short stacking energy: -16.767
Base-Backbone interact. energy: -0.333
local terms energy: -42.222141
where:
bonds (distance) C4'-P energy: -9.095
bonds (distance) P-C4' energy: -12.488
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -0.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -69.077234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.077234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.077234 (E_RNA)
where:
Base-Base interactions energy: -25.110
where: short stacking energy: -23.274
Base-Backbone interact. energy: -0.146
local terms energy: -43.821315
where:
bonds (distance) C4'-P energy: -8.557
bonds (distance) P-C4' energy: -11.231
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -4.186
tors. eta vs tors. theta energy: -6.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -72.148238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.148238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.148238 (E_RNA)
where:
Base-Base interactions energy: -30.273
where: short stacking energy: -23.006
Base-Backbone interact. energy: -0.108
local terms energy: -41.766713
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -9.858
flat angles C4'-P-C4' energy: -6.697
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -3.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -63.921091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.921091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.921091 (E_RNA)
where:
Base-Base interactions energy: -19.674
where: short stacking energy: -19.674
Base-Backbone interact. energy: -0.125
local terms energy: -44.121654
where:
bonds (distance) C4'-P energy: -9.521
bonds (distance) P-C4' energy: -8.154
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -6.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -127.721518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.721518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.721518 (E_RNA)
where:
Base-Base interactions energy: -71.623
where: short stacking energy: -43.965
Base-Backbone interact. energy: 0.283
local terms energy: -56.380764
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -7.842
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: 2, replica: 4
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -132.013475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.013475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.013475 (E_RNA)
where:
Base-Base interactions energy: -74.073
where: short stacking energy: -42.229
Base-Backbone interact. energy: 0.461
local terms energy: -58.401798
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -6.989
tors. eta vs tors. theta energy: -13.539
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: 3, replica: 10
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -93.362840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.362840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.362840 (E_RNA)
where:
Base-Base interactions energy: -43.270
where: short stacking energy: -43.270
Base-Backbone interact. energy: -0.097
local terms energy: -49.995944
where:
bonds (distance) C4'-P energy: -8.280
bonds (distance) P-C4' energy: -10.428
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -8.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -132.297576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.297576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.297576 (E_RNA)
where:
Base-Base interactions energy: -79.946
where: short stacking energy: -46.147
Base-Backbone interact. energy: -0.072
local terms energy: -52.279772
where:
bonds (distance) C4'-P energy: -10.081
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -7.666
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: -15.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -95.384560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.384560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.384560 (E_RNA)
where:
Base-Base interactions energy: -44.332
where: short stacking energy: -30.346
Base-Backbone interact. energy: -0.160
local terms energy: -50.892124
where:
bonds (distance) C4'-P energy: -10.622
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -6.756
tors. eta vs tors. theta energy: -6.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -80.201865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.201865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.201865 (E_RNA)
where:
Base-Base interactions energy: -32.295
where: short stacking energy: -32.295
Base-Backbone interact. energy: -0.076
local terms energy: -47.830936
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -10.748
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -4.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -101.958321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.958321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.958321 (E_RNA)
where:
Base-Base interactions energy: -63.969
where: short stacking energy: -39.658
Base-Backbone interact. energy: -0.021
local terms energy: -37.968766
where:
bonds (distance) C4'-P energy: -10.128
bonds (distance) P-C4' energy: -10.562
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: 1.392
tors. eta vs tors. theta energy: -7.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -63.258734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.258734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.258734 (E_RNA)
where:
Base-Base interactions energy: -25.853
where: short stacking energy: -24.882
Base-Backbone interact. energy: -0.046
local terms energy: -37.359867
where:
bonds (distance) C4'-P energy: -6.517
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -6.841
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -3.958
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: 9, replica: 1
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -63.562453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.562453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.562453 (E_RNA)
where:
Base-Base interactions energy: -19.325
where: short stacking energy: -19.325
Base-Backbone interact. energy: -0.000
local terms energy: -44.237297
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: -1.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -57.703077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.703077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.703077 (E_RNA)
where:
Base-Base interactions energy: -15.703
where: short stacking energy: -15.165
Base-Backbone interact. energy: -0.473
local terms energy: -41.527683
where:
bonds (distance) C4'-P energy: -13.302
bonds (distance) P-C4' energy: -11.549
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: 4.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -129.001327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.001327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.001327 (E_RNA)
where:
Base-Base interactions energy: -75.918
where: short stacking energy: -45.893
Base-Backbone interact. energy: -0.083
local terms energy: -53.000514
where:
bonds (distance) C4'-P energy: -11.550
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -11.287
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -9.549
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: 4
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -138.073652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.073652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.073652 (E_RNA)
where:
Base-Base interactions energy: -81.664
where: short stacking energy: -52.246
Base-Backbone interact. energy: 0.606
local terms energy: -57.015549
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -10.148
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -13.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -105.211902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.211902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.211902 (E_RNA)
where:
Base-Base interactions energy: -50.693
where: short stacking energy: -38.999
Base-Backbone interact. energy: -0.010
local terms energy: -54.509016
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -10.149
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: 9
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -125.476591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.476591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.476591 (E_RNA)
where:
Base-Base interactions energy: -74.059
where: short stacking energy: -42.179
Base-Backbone interact. energy: -0.249
local terms energy: -51.168851
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -10.343
flat angles C4'-P-C4' energy: -10.778
flat angles P-C4'-P energy: -6.612
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: 5, replica: 6
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -83.007604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.007604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.007604 (E_RNA)
where:
Base-Base interactions energy: -41.134
where: short stacking energy: -29.456
Base-Backbone interact. energy: -0.115
local terms energy: -41.758161
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -11.588
flat angles C4'-P-C4' energy: -7.020
flat angles P-C4'-P energy: -6.765
tors. eta vs tors. theta energy: -4.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -69.183740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.183740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.183740 (E_RNA)
where:
Base-Base interactions energy: -22.771
where: short stacking energy: -22.771
Base-Backbone interact. energy: -0.024
local terms energy: -46.388380
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -10.824
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: -5.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -71.177683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.177683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.177683 (E_RNA)
where:
Base-Base interactions energy: -27.141
where: short stacking energy: -26.131
Base-Backbone interact. energy: -0.011
local terms energy: -44.025698
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -11.883
flat angles C4'-P-C4' energy: -10.634
flat angles P-C4'-P energy: -4.147
tors. eta vs tors. theta energy: -4.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -82.831425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.831425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.831425 (E_RNA)
where:
Base-Base interactions energy: -37.834
where: short stacking energy: -24.497
Base-Backbone interact. energy: 0.908
local terms energy: -45.905665
where:
bonds (distance) C4'-P energy: -10.441
bonds (distance) P-C4' energy: -11.890
flat angles C4'-P-C4' energy: -10.289
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: -6.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -77.882597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.882597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.882597 (E_RNA)
where:
Base-Base interactions energy: -28.194
where: short stacking energy: -28.194
Base-Backbone interact. energy: -0.009
local terms energy: -49.679870
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -8.256
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -7.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -60.368047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.368047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.368047 (E_RNA)
where:
Base-Base interactions energy: -24.550
where: short stacking energy: -24.226
Base-Backbone interact. energy: 0.474
local terms energy: -36.291709
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -8.181
flat angles P-C4'-P energy: -1.939
tors. eta vs tors. theta energy: 0.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -127.492151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.492151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.492151 (E_RNA)
where:
Base-Base interactions energy: -67.594
where: short stacking energy: -51.914
Base-Backbone interact. energy: -0.825
local terms energy: -59.073375
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -13.368
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -12.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -136.147106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.147106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.147106 (E_RNA)
where:
Base-Base interactions energy: -79.960
where: short stacking energy: -42.430
Base-Backbone interact. energy: -0.091
local terms energy: -56.096305
where:
bonds (distance) C4'-P energy: -9.710
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -6.190
tors. eta vs tors. theta energy: -15.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -134.145557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.145557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.145557 (E_RNA)
where:
Base-Base interactions energy: -75.423
where: short stacking energy: -42.200
Base-Backbone interact. energy: -0.009
local terms energy: -58.713981
where:
bonds (distance) C4'-P energy: -10.955
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -8.405
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: 4, replica: 10
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -89.219191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.219191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.219191 (E_RNA)
where:
Base-Base interactions energy: -36.452
where: short stacking energy: -36.552
Base-Backbone interact. energy: -0.013
local terms energy: -52.754378
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -11.453
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -6.209
tors. eta vs tors. theta energy: -10.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -100.927106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.927106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.927106 (E_RNA)
where:
Base-Base interactions energy: -52.594
where: short stacking energy: -36.598
Base-Backbone interact. energy: -0.211
local terms energy: -48.122334
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -11.326
flat angles P-C4'-P energy: -5.290
tors. eta vs tors. theta energy: -7.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -83.282747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.282747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.282747 (E_RNA)
where:
Base-Base interactions energy: -30.868
where: short stacking energy: -30.868
Base-Backbone interact. energy: -0.049
local terms energy: -52.366399
where:
bonds (distance) C4'-P energy: -9.885
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -9.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -77.997234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.997234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.997234 (E_RNA)
where:
Base-Base interactions energy: -35.481
where: short stacking energy: -35.481
Base-Backbone interact. energy: -0.110
local terms energy: -42.406293
where:
bonds (distance) C4'-P energy: -10.607
bonds (distance) P-C4' energy: -8.947
flat angles C4'-P-C4' energy: -9.169
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -5.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -64.954217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.954217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.954217 (E_RNA)
where:
Base-Base interactions energy: -28.014
where: short stacking energy: -20.911
Base-Backbone interact. energy: -0.271
local terms energy: -36.669362
where:
bonds (distance) C4'-P energy: -4.467
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -11.776
flat angles P-C4'-P energy: -4.412
tors. eta vs tors. theta energy: -3.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -69.645591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.645591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.645591 (E_RNA)
where:
Base-Base interactions energy: -28.444
where: short stacking energy: -18.485
Base-Backbone interact. energy: -0.163
local terms energy: -41.038834
where:
bonds (distance) C4'-P energy: -11.393
bonds (distance) P-C4' energy: -12.513
flat angles C4'-P-C4' energy: -9.245
flat angles P-C4'-P energy: -6.375
tors. eta vs tors. theta energy: -1.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -59.374458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.374458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.374458 (E_RNA)
where:
Base-Base interactions energy: -22.947
where: short stacking energy: -15.920
Base-Backbone interact. energy: -0.050
local terms energy: -36.376987
where:
bonds (distance) C4'-P energy: -8.609
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -9.274
flat angles P-C4'-P energy: -6.677
tors. eta vs tors. theta energy: -0.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -125.237090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.237090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.237090 (E_RNA)
where:
Base-Base interactions energy: -69.669
where: short stacking energy: -46.054
Base-Backbone interact. energy: -0.035
local terms energy: -55.533517
where:
bonds (distance) C4'-P energy: -8.355
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -11.240
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -11.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -133.841863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.841863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.841863 (E_RNA)
where:
Base-Base interactions energy: -73.482
where: short stacking energy: -42.758
Base-Backbone interact. energy: -0.086
local terms energy: -60.273585
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -14.971
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: 9
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -135.634447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.634447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.634447 (E_RNA)
where:
Base-Base interactions energy: -79.475
where: short stacking energy: -51.881
Base-Backbone interact. energy: -0.033
local terms energy: -56.126769
where:
bonds (distance) C4'-P energy: -10.805
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -10.533
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -14.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -101.795494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.795494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.795494 (E_RNA)
where:
Base-Base interactions energy: -48.196
where: short stacking energy: -35.956
Base-Backbone interact. energy: -0.025
local terms energy: -53.574352
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -10.357
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -9.530
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: 5, replica: 10
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -83.703654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.703654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.703654 (E_RNA)
where:
Base-Base interactions energy: -39.020
where: short stacking energy: -39.020
Base-Backbone interact. energy: -0.061
local terms energy: -44.622902
where:
bonds (distance) C4'-P energy: -5.721
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -11.221
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: -8.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -89.328233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.328233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.328233 (E_RNA)
where:
Base-Base interactions energy: -43.013
where: short stacking energy: -36.299
Base-Backbone interact. energy: -0.080
local terms energy: -46.235087
where:
bonds (distance) C4'-P energy: -11.070
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -7.746
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -5.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -80.688484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.688484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.688484 (E_RNA)
where:
Base-Base interactions energy: -31.689
where: short stacking energy: -31.689
Base-Backbone interact. energy: -0.049
local terms energy: -48.950766
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -10.464
flat angles P-C4'-P energy: -6.968
tors. eta vs tors. theta energy: -7.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -76.632970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.632970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.632970 (E_RNA)
where:
Base-Base interactions energy: -33.952
where: short stacking energy: -22.304
Base-Backbone interact. energy: -0.141
local terms energy: -42.539720
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -8.052
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -5.198
tors. eta vs tors. theta energy: -5.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -66.758553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.758553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.758553 (E_RNA)
where:
Base-Base interactions energy: -20.340
where: short stacking energy: -20.340
Base-Backbone interact. energy: -0.252
local terms energy: -46.166309
where:
bonds (distance) C4'-P energy: -10.698
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: -4.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -59.785043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.785043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.785043 (E_RNA)
where:
Base-Base interactions energy: -20.936
where: short stacking energy: -15.992
Base-Backbone interact. energy: -0.105
local terms energy: -38.744278
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -10.850
flat angles C4'-P-C4' energy: -2.436
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -2.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -143.921440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.921440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.921440 (E_RNA)
where:
Base-Base interactions energy: -84.042
where: short stacking energy: -53.955
Base-Backbone interact. energy: -0.027
local terms energy: -59.851928
where:
bonds (distance) C4'-P energy: -9.593
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -16.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -114.497726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.497726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.497726 (E_RNA)
where:
Base-Base interactions energy: -62.776
where: short stacking energy: -37.534
Base-Backbone interact. energy: -0.025
local terms energy: -51.696628
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -10.635
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -9.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -126.312533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.312533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.312533 (E_RNA)
where:
Base-Base interactions energy: -73.499
where: short stacking energy: -46.041
Base-Backbone interact. energy: -0.002
local terms energy: -52.811304
where:
bonds (distance) C4'-P energy: -10.093
bonds (distance) P-C4' energy: -10.901
flat angles C4'-P-C4' energy: -11.169
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -11.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -82.265493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.265493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.265493 (E_RNA)
where:
Base-Base interactions energy: -36.863
where: short stacking energy: -35.456
Base-Backbone interact. energy: -0.065
local terms energy: -45.336766
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -9.461
flat angles C4'-P-C4' energy: -10.898
flat angles P-C4'-P energy: -5.987
tors. eta vs tors. theta energy: -4.786
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: 1
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -77.355957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.355957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.355957 (E_RNA)
where:
Base-Base interactions energy: -35.201
where: short stacking energy: -30.536
Base-Backbone interact. energy: -0.005
local terms energy: -42.150660
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -6.061
flat angles C4'-P-C4' energy: -10.636
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -5.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -89.775552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.775552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.775552 (E_RNA)
where:
Base-Base interactions energy: -38.318
where: short stacking energy: -38.318
Base-Backbone interact. energy: -0.007
local terms energy: -51.451235
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -8.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -79.651452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.651452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.651452 (E_RNA)
where:
Base-Base interactions energy: -39.135
where: short stacking energy: -35.747
Base-Backbone interact. energy: -0.001
local terms energy: -40.515891
where:
bonds (distance) C4'-P energy: -7.448
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -7.619
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: -7.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -74.427285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.427285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.427285 (E_RNA)
where:
Base-Base interactions energy: -29.576
where: short stacking energy: -29.158
Base-Backbone interact. energy: -0.023
local terms energy: -44.829076
where:
bonds (distance) C4'-P energy: -10.458
bonds (distance) P-C4' energy: -11.804
flat angles C4'-P-C4' energy: -11.074
flat angles P-C4'-P energy: -3.009
tors. eta vs tors. theta energy: -8.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -64.149020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.149020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.149020 (E_RNA)
where:
Base-Base interactions energy: -21.902
where: short stacking energy: -19.309
Base-Backbone interact. energy: -0.058
local terms energy: -42.188809
where:
bonds (distance) C4'-P energy: -8.455
bonds (distance) P-C4' energy: -11.474
flat angles C4'-P-C4' energy: -10.281
flat angles P-C4'-P energy: -6.053
tors. eta vs tors. theta energy: -5.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -63.234591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.234591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.234591 (E_RNA)
where:
Base-Base interactions energy: -23.622
where: short stacking energy: -23.622
Base-Backbone interact. energy: -0.072
local terms energy: -39.540904
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -11.244
flat angles P-C4'-P energy: -3.271
tors. eta vs tors. theta energy: -2.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -152.614649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.614649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.614649 (E_RNA)
where:
Base-Base interactions energy: -93.378
where: short stacking energy: -57.783
Base-Backbone interact. energy: -0.041
local terms energy: -59.195683
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -8.395
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -14.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -130.284342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.284342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.284342 (E_RNA)
where:
Base-Base interactions energy: -80.314
where: short stacking energy: -47.388
Base-Backbone interact. energy: -0.043
local terms energy: -49.926645
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -9.812
flat angles P-C4'-P energy: -4.187
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: 39
Temperature: 1.000000
Total energy: -89.670449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.670449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.670449 (E_RNA)
where:
Base-Base interactions energy: -40.381
where: short stacking energy: -38.166
Base-Backbone interact. energy: 0.318
local terms energy: -49.607383
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -12.261
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -6.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -90.325096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.325096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.325096 (E_RNA)
where:
Base-Base interactions energy: -37.627
where: short stacking energy: -37.627
Base-Backbone interact. energy: -0.020
local terms energy: -52.677790
where:
bonds (distance) C4'-P energy: -8.504
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -9.252
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: 5, replica: 6
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -85.507486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.507486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.507486 (E_RNA)
where:
Base-Base interactions energy: -37.533
where: short stacking energy: -37.533
Base-Backbone interact. energy: -0.094
local terms energy: -47.880432
where:
bonds (distance) C4'-P energy: -8.130
bonds (distance) P-C4' energy: -9.424
flat angles C4'-P-C4' energy: -11.452
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -9.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -77.714407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.714407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.714407 (E_RNA)
where:
Base-Base interactions energy: -34.324
where: short stacking energy: -34.324
Base-Backbone interact. energy: -0.063
local terms energy: -43.328241
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -7.481
flat angles C4'-P-C4' energy: -11.482
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -5.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -66.703371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.703371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.703371 (E_RNA)
where:
Base-Base interactions energy: -27.003
where: short stacking energy: -26.930
Base-Backbone interact. energy: 0.045
local terms energy: -39.745668
where:
bonds (distance) C4'-P energy: -9.948
bonds (distance) P-C4' energy: -9.789
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -4.132
tors. eta vs tors. theta energy: -3.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -61.626469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.626469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.626469 (E_RNA)
where:
Base-Base interactions energy: -18.203
where: short stacking energy: -18.203
Base-Backbone interact. energy: -0.130
local terms energy: -43.293293
where:
bonds (distance) C4'-P energy: -11.008
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -10.400
flat angles P-C4'-P energy: -4.572
tors. eta vs tors. theta energy: -3.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -64.805388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.805388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.805388 (E_RNA)
where:
Base-Base interactions energy: -20.409
where: short stacking energy: -14.581
Base-Backbone interact. energy: -0.001
local terms energy: -44.395319
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -10.848
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -3.962
tors. eta vs tors. theta energy: -5.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -63.843273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.843273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.843273 (E_RNA)
where:
Base-Base interactions energy: -21.787
where: short stacking energy: -20.968
Base-Backbone interact. energy: -0.467
local terms energy: -41.588946
where:
bonds (distance) C4'-P energy: -10.706
bonds (distance) P-C4' energy: -10.709
flat angles C4'-P-C4' energy: -9.695
flat angles P-C4'-P energy: -5.979
tors. eta vs tors. theta energy: -4.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -126.253862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.253862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.253862 (E_RNA)
where:
Base-Base interactions energy: -74.322
where: short stacking energy: -43.755
Base-Backbone interact. energy: -0.003
local terms energy: -51.928091
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -6.771
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -11.000
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: 5
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -131.499712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.499712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.499712 (E_RNA)
where:
Base-Base interactions energy: -78.531
where: short stacking energy: -46.901
Base-Backbone interact. energy: -0.068
local terms energy: -52.900230
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -5.041
tors. eta vs tors. theta energy: -11.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -96.369083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.369083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.369083 (E_RNA)
where:
Base-Base interactions energy: -41.292
where: short stacking energy: -41.292
Base-Backbone interact. energy: -0.100
local terms energy: -54.977208
where:
bonds (distance) C4'-P energy: -10.793
bonds (distance) P-C4' energy: -12.276
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -11.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -102.724554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.724554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.724554 (E_RNA)
where:
Base-Base interactions energy: -47.515
where: short stacking energy: -32.492
Base-Backbone interact. energy: -0.246
local terms energy: -54.963840
where:
bonds (distance) C4'-P energy: -10.413
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -10.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -85.774850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.774850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.774850 (E_RNA)
where:
Base-Base interactions energy: -33.136
where: short stacking energy: -33.085
Base-Backbone interact. energy: -0.047
local terms energy: -52.591158
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -11.552
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -6.234
tors. eta vs tors. theta energy: -10.938
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: 6
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -82.469844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.469844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.469844 (E_RNA)
where:
Base-Base interactions energy: -36.235
where: short stacking energy: -22.593
Base-Backbone interact. energy: -0.290
local terms energy: -45.944931
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -10.492
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -7.362
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: 7, replica: 3
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -70.938826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.938826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.938826 (E_RNA)
where:
Base-Base interactions energy: -29.234
where: short stacking energy: -27.794
Base-Backbone interact. energy: -0.093
local terms energy: -41.611360
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -5.397
flat angles C4'-P-C4' energy: -8.935
flat angles P-C4'-P energy: -6.824
tors. eta vs tors. theta energy: -9.761
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: 10
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -75.473392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.473392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.473392 (E_RNA)
where:
Base-Base interactions energy: -30.082
where: short stacking energy: -29.994
Base-Backbone interact. energy: -0.160
local terms energy: -45.231318
where:
bonds (distance) C4'-P energy: -9.320
bonds (distance) P-C4' energy: -10.679
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -5.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -66.791564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.791564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.791564 (E_RNA)
where:
Base-Base interactions energy: -26.195
where: short stacking energy: -26.195
Base-Backbone interact. energy: -0.029
local terms energy: -40.567521
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -9.940
flat angles C4'-P-C4' energy: -7.846
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -2.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -62.234307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.234307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.234307 (E_RNA)
where:
Base-Base interactions energy: -19.663
where: short stacking energy: -18.449
Base-Backbone interact. energy: 0.060
local terms energy: -42.631929
where:
bonds (distance) C4'-P energy: -9.746
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -8.880
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -3.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -127.752937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.752937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.752937 (E_RNA)
where:
Base-Base interactions energy: -71.975
where: short stacking energy: -45.098
Base-Backbone interact. energy: -0.066
local terms energy: -55.711312
where:
bonds (distance) C4'-P energy: -11.434
bonds (distance) P-C4' energy: -10.116
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -12.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -142.246375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.246375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.246375 (E_RNA)
where:
Base-Base interactions energy: -82.775
where: short stacking energy: -49.951
Base-Backbone interact. energy: -0.005
local terms energy: -59.465777
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -13.299
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: 1
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -93.779777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.779777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.779777 (E_RNA)
where:
Base-Base interactions energy: -34.790
where: short stacking energy: -34.790
Base-Backbone interact. energy: -0.091
local terms energy: -58.899007
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -10.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -101.308683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.308683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.308683 (E_RNA)
where:
Base-Base interactions energy: -47.884
where: short stacking energy: -32.207
Base-Backbone interact. energy: -1.068
local terms energy: -52.356898
where:
bonds (distance) C4'-P energy: -9.456
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -8.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -79.552107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.552107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.552107 (E_RNA)
where:
Base-Base interactions energy: -33.171
where: short stacking energy: -32.907
Base-Backbone interact. energy: -0.205
local terms energy: -46.175421
where:
bonds (distance) C4'-P energy: -9.178
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -11.076
flat angles P-C4'-P energy: -6.293
tors. eta vs tors. theta energy: -6.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -77.418397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.418397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.418397 (E_RNA)
where:
Base-Base interactions energy: -34.226
where: short stacking energy: -34.226
Base-Backbone interact. energy: -0.010
local terms energy: -43.182502
where:
bonds (distance) C4'-P energy: -10.209
bonds (distance) P-C4' energy: -8.995
flat angles C4'-P-C4' energy: -8.748
flat angles P-C4'-P energy: -6.582
tors. eta vs tors. theta energy: -8.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -70.489699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.489699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.489699 (E_RNA)
where:
Base-Base interactions energy: -25.683
where: short stacking energy: -24.808
Base-Backbone interact. energy: 1.042
local terms energy: -45.848287
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: 0.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -69.988792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.988792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.988792 (E_RNA)
where:
Base-Base interactions energy: -31.460
where: short stacking energy: -29.765
Base-Backbone interact. energy: 0.916
local terms energy: -39.444630
where:
bonds (distance) C4'-P energy: -10.441
bonds (distance) P-C4' energy: -10.026
flat angles C4'-P-C4' energy: -8.402
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -2.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -69.494764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.494764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.494764 (E_RNA)
where:
Base-Base interactions energy: -26.398
where: short stacking energy: -26.398
Base-Backbone interact. energy: -0.001
local terms energy: -43.095849
where:
bonds (distance) C4'-P energy: -8.992
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -9.661
flat angles P-C4'-P energy: -4.722
tors. eta vs tors. theta energy: -7.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -60.722092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.722092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.722092 (E_RNA)
where:
Base-Base interactions energy: -19.737
where: short stacking energy: -19.737
Base-Backbone interact. energy: -0.009
local terms energy: -40.976351
where:
bonds (distance) C4'-P energy: -9.836
bonds (distance) P-C4' energy: -9.679
flat angles C4'-P-C4' energy: -8.904
flat angles P-C4'-P energy: -5.414
tors. eta vs tors. theta energy: -7.143
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: 5
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -145.473531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.473531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.473531 (E_RNA)
where:
Base-Base interactions energy: -82.328
where: short stacking energy: -42.839
Base-Backbone interact. energy: -0.066
local terms energy: -63.079562
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -10.731
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -7.773
tors. eta vs tors. theta energy: -16.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -136.044084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.044084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.044084 (E_RNA)
where:
Base-Base interactions energy: -75.830
where: short stacking energy: -45.578
Base-Backbone interact. energy: -0.087
local terms energy: -60.127764
where:
bonds (distance) C4'-P energy: -12.164
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -10.314
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: 3, replica: 4
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -104.726795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.726795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.726795 (E_RNA)
where:
Base-Base interactions energy: -52.087
where: short stacking energy: -37.189
Base-Backbone interact. energy: -0.084
local terms energy: -52.555869
where:
bonds (distance) C4'-P energy: -10.925
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -7.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -96.429786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.429786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.429786 (E_RNA)
where:
Base-Base interactions energy: -41.601
where: short stacking energy: -41.601
Base-Backbone interact. energy: -0.000
local terms energy: -54.828557
where:
bonds (distance) C4'-P energy: -12.755
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -5.402
tors. eta vs tors. theta energy: -10.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -73.269334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.269334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.269334 (E_RNA)
where:
Base-Base interactions energy: -29.239
where: short stacking energy: -25.333
Base-Backbone interact. energy: -0.189
local terms energy: -43.841158
where:
bonds (distance) C4'-P energy: -10.279
bonds (distance) P-C4' energy: -11.985
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -2.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -72.233969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.233969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.233969 (E_RNA)
where:
Base-Base interactions energy: -24.434
where: short stacking energy: -19.682
Base-Backbone interact. energy: -0.308
local terms energy: -47.491339
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -10.843
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: 7, replica: 2
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -70.843411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.843411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.843411 (E_RNA)
where:
Base-Base interactions energy: -25.064
where: short stacking energy: -25.064
Base-Backbone interact. energy: -0.206
local terms energy: -45.572839
where:
bonds (distance) C4'-P energy: -11.584
bonds (distance) P-C4' energy: -9.716
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -5.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -67.527534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.527534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.527534 (E_RNA)
where:
Base-Base interactions energy: -29.191
where: short stacking energy: -29.191
Base-Backbone interact. energy: -0.253
local terms energy: -38.083532
where:
bonds (distance) C4'-P energy: -7.449
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -9.668
flat angles P-C4'-P energy: -5.607
tors. eta vs tors. theta energy: -4.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -69.498755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.498755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.498755 (E_RNA)
where:
Base-Base interactions energy: -27.571
where: short stacking energy: -27.571
Base-Backbone interact. energy: 2.223
local terms energy: -44.150006
where:
bonds (distance) C4'-P energy: -6.703
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: -4.847
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: 10, replica: 10
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -68.746559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.746559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.746559 (E_RNA)
where:
Base-Base interactions energy: -23.808
where: short stacking energy: -23.808
Base-Backbone interact. energy: -0.123
local terms energy: -44.814778
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -10.872
flat angles P-C4'-P energy: -2.437
tors. eta vs tors. theta energy: -7.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -138.599006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.599006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.599006 (E_RNA)
where:
Base-Base interactions energy: -80.201
where: short stacking energy: -48.294
Base-Backbone interact. energy: -0.004
local terms energy: -58.394275
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -12.331
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -12.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -131.179441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.179441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.179441 (E_RNA)
where:
Base-Base interactions energy: -71.408
where: short stacking energy: -45.795
Base-Backbone interact. energy: -0.213
local terms energy: -59.558128
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -9.277
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: 3, replica: 9
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -129.471172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.471172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.471172 (E_RNA)
where:
Base-Base interactions energy: -78.610
where: short stacking energy: -41.396
Base-Backbone interact. energy: -0.021
local terms energy: -50.839827
where:
bonds (distance) C4'-P energy: -7.721
bonds (distance) P-C4' energy: -11.423
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -6.507
tors. eta vs tors. theta energy: -12.099
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: 3
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -99.151039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.151039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.151039 (E_RNA)
where:
Base-Base interactions energy: -44.079
where: short stacking energy: -39.108
Base-Backbone interact. energy: -0.070
local terms energy: -55.001854
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -11.135
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -8.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -76.818570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.818570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.818570 (E_RNA)
where:
Base-Base interactions energy: -32.623
where: short stacking energy: -32.623
Base-Backbone interact. energy: -0.038
local terms energy: -44.157308
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -10.887
flat angles P-C4'-P energy: -4.386
tors. eta vs tors. theta energy: -6.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -78.540350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.540350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.540350 (E_RNA)
where:
Base-Base interactions energy: -33.483
where: short stacking energy: -34.583
Base-Backbone interact. energy: -0.139
local terms energy: -44.918343
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -8.814
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -2.209
tors. eta vs tors. theta energy: -8.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -70.396999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.396999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.396999 (E_RNA)
where:
Base-Base interactions energy: -25.974
where: short stacking energy: -25.974
Base-Backbone interact. energy: -0.238
local terms energy: -44.185756
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -8.867
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -2.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -73.873657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.873657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.873657 (E_RNA)
where:
Base-Base interactions energy: -34.241
where: short stacking energy: -34.241
Base-Backbone interact. energy: -0.116
local terms energy: -39.516203
where:
bonds (distance) C4'-P energy: -8.479
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -11.409
flat angles P-C4'-P energy: -0.932
tors. eta vs tors. theta energy: -5.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -62.748730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.748730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.748730 (E_RNA)
where:
Base-Base interactions energy: -21.746
where: short stacking energy: -22.046
Base-Backbone interact. energy: -0.387
local terms energy: -40.615613
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -9.694
flat angles C4'-P-C4' energy: -7.490
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -3.494
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: 10
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -55.326002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.326002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.326002 (E_RNA)
where:
Base-Base interactions energy: -21.560
where: short stacking energy: -21.560
Base-Backbone interact. energy: -0.629
local terms energy: -33.137434
where:
bonds (distance) C4'-P energy: -11.062
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -9.704
flat angles P-C4'-P energy: 0.635
tors. eta vs tors. theta energy: -0.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -145.421456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.421456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.421456 (E_RNA)
where:
Base-Base interactions energy: -83.454
where: short stacking energy: -53.773
Base-Backbone interact. energy: -0.012
local terms energy: -61.956224
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -15.142
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: 4
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -125.600846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.600846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.600846 (E_RNA)
where:
Base-Base interactions energy: -70.296
where: short stacking energy: -42.142
Base-Backbone interact. energy: 0.076
local terms energy: -55.380805
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -11.834
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -11.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -134.614760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.614760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.614760 (E_RNA)
where:
Base-Base interactions energy: -82.379
where: short stacking energy: -50.337
Base-Backbone interact. energy: -0.016
local terms energy: -52.220366
where:
bonds (distance) C4'-P energy: -9.029
bonds (distance) P-C4' energy: -9.730
flat angles C4'-P-C4' energy: -10.794
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -15.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -83.150989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.150989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.150989 (E_RNA)
where:
Base-Base interactions energy: -32.345
where: short stacking energy: -31.652
Base-Backbone interact. energy: -0.740
local terms energy: -50.066852
where:
bonds (distance) C4'-P energy: -10.395
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -11.186
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -5.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -78.312610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.312610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.312610 (E_RNA)
where:
Base-Base interactions energy: -31.345
where: short stacking energy: -31.345
Base-Backbone interact. energy: -0.014
local terms energy: -46.953520
where:
bonds (distance) C4'-P energy: -11.298
bonds (distance) P-C4' energy: -12.082
flat angles C4'-P-C4' energy: -8.601
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -7.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -82.233634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.233634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.233634 (E_RNA)
where:
Base-Base interactions energy: -36.320
where: short stacking energy: -36.172
Base-Backbone interact. energy: 0.554
local terms energy: -46.467456
where:
bonds (distance) C4'-P energy: -8.686
bonds (distance) P-C4' energy: -12.491
flat angles C4'-P-C4' energy: -10.982
flat angles P-C4'-P energy: -5.774
tors. eta vs tors. theta energy: -8.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -73.846560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.846560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.846560 (E_RNA)
where:
Base-Base interactions energy: -30.991
where: short stacking energy: -22.865
Base-Backbone interact. energy: -0.004
local terms energy: -42.851681
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -9.798
flat angles P-C4'-P energy: -6.518
tors. eta vs tors. theta energy: -2.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -74.915381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.915381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.915381 (E_RNA)
where:
Base-Base interactions energy: -27.275
where: short stacking energy: -27.275
Base-Backbone interact. energy: -0.421
local terms energy: -47.218998
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -3.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -69.560563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.560563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.560563 (E_RNA)
where:
Base-Base interactions energy: -25.506
where: short stacking energy: -25.506
Base-Backbone interact. energy: -0.031
local terms energy: -44.023918
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -8.582
flat angles C4'-P-C4' energy: -11.158
flat angles P-C4'-P energy: -6.659
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: 10, replica: 6
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -80.501475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.501475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.501475 (E_RNA)
where:
Base-Base interactions energy: -34.447
where: short stacking energy: -34.447
Base-Backbone interact. energy: -0.013
local terms energy: -46.041710
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -10.718
flat angles C4'-P-C4' energy: -7.873
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -7.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -150.982982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.982982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.982982 (E_RNA)
where:
Base-Base interactions energy: -91.527
where: short stacking energy: -57.265
Base-Backbone interact. energy: -0.000
local terms energy: -59.455171
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -9.202
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -14.971
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: 9
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -139.953431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.953431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.953431 (E_RNA)
where:
Base-Base interactions energy: -82.351
where: short stacking energy: -47.912
Base-Backbone interact. energy: -0.174
local terms energy: -57.428108
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -11.483
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: -13.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -117.061872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.061872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.061872 (E_RNA)
where:
Base-Base interactions energy: -66.890
where: short stacking energy: -33.382
Base-Backbone interact. energy: -0.113
local terms energy: -50.058892
where:
bonds (distance) C4'-P energy: -11.844
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -5.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -81.286347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.286347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.286347 (E_RNA)
where:
Base-Base interactions energy: -31.659
where: short stacking energy: -31.659
Base-Backbone interact. energy: 0.116
local terms energy: -49.743333
where:
bonds (distance) C4'-P energy: -9.018
bonds (distance) P-C4' energy: -11.292
flat angles C4'-P-C4' energy: -10.786
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -8.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -86.950776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.950776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.950776 (E_RNA)
where:
Base-Base interactions energy: -40.025
where: short stacking energy: -40.025
Base-Backbone interact. energy: -0.009
local terms energy: -46.916547
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -7.103
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -8.748
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: 6, replica: 1
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -89.443944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.443944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.443944 (E_RNA)
where:
Base-Base interactions energy: -40.834
where: short stacking energy: -40.834
Base-Backbone interact. energy: -0.006
local terms energy: -48.604031
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -9.262
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -6.780
tors. eta vs tors. theta energy: -9.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -85.988223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.988223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.988223 (E_RNA)
where:
Base-Base interactions energy: -33.893
where: short stacking energy: -33.893
Base-Backbone interact. energy: -0.005
local terms energy: -52.090960
where:
bonds (distance) C4'-P energy: -10.855
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -9.714
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -10.740
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: 45
Temperature: 1.250000
Total energy: -75.171340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.171340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.171340 (E_RNA)
where:
Base-Base interactions energy: -35.072
where: short stacking energy: -23.535
Base-Backbone interact. energy: -0.441
local terms energy: -39.657969
where:
bonds (distance) C4'-P energy: -9.088
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -7.253
flat angles P-C4'-P energy: -7.068
tors. eta vs tors. theta energy: -3.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -62.554534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.554534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.554534 (E_RNA)
where:
Base-Base interactions energy: -19.055
where: short stacking energy: -19.055
Base-Backbone interact. energy: -0.098
local terms energy: -43.401746
where:
bonds (distance) C4'-P energy: -10.010
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -9.082
flat angles P-C4'-P energy: -6.763
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: 6
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -64.116883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.116883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.116883 (E_RNA)
where:
Base-Base interactions energy: -25.126
where: short stacking energy: -21.569
Base-Backbone interact. energy: -0.457
local terms energy: -38.534477
where:
bonds (distance) C4'-P energy: -11.132
bonds (distance) P-C4' energy: -8.386
flat angles C4'-P-C4' energy: -7.064
flat angles P-C4'-P energy: -5.235
tors. eta vs tors. theta energy: -6.718
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: 5
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -151.509197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.509197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.509197 (E_RNA)
where:
Base-Base interactions energy: -91.352
where: short stacking energy: -55.497
Base-Backbone interact. energy: -0.001
local terms energy: -60.156090
where:
bonds (distance) C4'-P energy: -10.768
bonds (distance) P-C4' energy: -10.492
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -11.098
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: 2, replica: 9
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -136.126704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.126704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.126704 (E_RNA)
where:
Base-Base interactions energy: -79.118
where: short stacking energy: -50.743
Base-Backbone interact. energy: -0.170
local terms energy: -56.838977
where:
bonds (distance) C4'-P energy: -10.416
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -12.259
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: 3, replica: 4
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -127.714193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.714193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.714193 (E_RNA)
where:
Base-Base interactions energy: -75.389
where: short stacking energy: -49.982
Base-Backbone interact. energy: -0.094
local terms energy: -52.231244
where:
bonds (distance) C4'-P energy: -12.917
bonds (distance) P-C4' energy: -12.000
flat angles C4'-P-C4' energy: -10.744
flat angles P-C4'-P energy: -5.928
tors. eta vs tors. theta energy: -10.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -97.430530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.430530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.430530 (E_RNA)
where:
Base-Base interactions energy: -40.906
where: short stacking energy: -40.906
Base-Backbone interact. energy: -0.000
local terms energy: -56.524226
where:
bonds (distance) C4'-P energy: -12.084
bonds (distance) P-C4' energy: -11.777
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -5.349
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: 5, replica: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -84.676023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.676023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.676023 (E_RNA)
where:
Base-Base interactions energy: -32.109
where: short stacking energy: -32.109
Base-Backbone interact. energy: -0.082
local terms energy: -52.484596
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -8.160
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -11.672
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: 46
Temperature: 1.150000
Total energy: -80.258218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.258218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.258218 (E_RNA)
where:
Base-Base interactions energy: -34.272
where: short stacking energy: -34.272
Base-Backbone interact. energy: -0.076
local terms energy: -45.909696
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -8.963
flat angles C4'-P-C4' energy: -11.059
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -7.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -78.135898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.135898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.135898 (E_RNA)
where:
Base-Base interactions energy: -32.955
where: short stacking energy: -33.655
Base-Backbone interact. energy: -0.009
local terms energy: -45.171033
where:
bonds (distance) C4'-P energy: -8.548
bonds (distance) P-C4' energy: -9.370
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -6.843
tors. eta vs tors. theta energy: -6.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -70.709966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.709966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.709966 (E_RNA)
where:
Base-Base interactions energy: -29.983
where: short stacking energy: -26.422
Base-Backbone interact. energy: -0.114
local terms energy: -40.613015
where:
bonds (distance) C4'-P energy: -6.503
bonds (distance) P-C4' energy: -10.442
flat angles C4'-P-C4' energy: -8.976
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -5.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -69.485567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.485567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.485567 (E_RNA)
where:
Base-Base interactions energy: -27.419
where: short stacking energy: -16.872
Base-Backbone interact. energy: -0.022
local terms energy: -42.045470
where:
bonds (distance) C4'-P energy: -8.733
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -11.071
flat angles P-C4'-P energy: -6.083
tors. eta vs tors. theta energy: -4.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -70.445920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.445920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.445920 (E_RNA)
where:
Base-Base interactions energy: -25.947
where: short stacking energy: -25.947
Base-Backbone interact. energy: -0.044
local terms energy: -44.455043
where:
bonds (distance) C4'-P energy: -9.674
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -9.272
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -6.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -138.632381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.632381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.632381 (E_RNA)
where:
Base-Base interactions energy: -81.799
where: short stacking energy: -50.092
Base-Backbone interact. energy: -0.133
local terms energy: -56.700994
where:
bonds (distance) C4'-P energy: -10.395
bonds (distance) P-C4' energy: -10.982
flat angles C4'-P-C4' energy: -11.441
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -15.502
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: 4
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -129.292208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.292208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.292208 (E_RNA)
where:
Base-Base interactions energy: -73.240
where: short stacking energy: -42.348
Base-Backbone interact. energy: -0.029
local terms energy: -56.023566
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -12.391
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -10.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -121.877836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.877836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.877836 (E_RNA)
where:
Base-Base interactions energy: -68.277
where: short stacking energy: -37.041
Base-Backbone interact. energy: -0.005
local terms energy: -53.595996
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -10.494
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -10.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -99.195824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.195824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.195824 (E_RNA)
where:
Base-Base interactions energy: -40.909
where: short stacking energy: -40.909
Base-Backbone interact. energy: -0.003
local terms energy: -58.284455
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -12.304
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -13.095
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: 1
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -92.791111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.791111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.791111 (E_RNA)
where:
Base-Base interactions energy: -39.000
where: short stacking energy: -39.000
Base-Backbone interact. energy: -0.073
local terms energy: -53.718385
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -4.701
tors. eta vs tors. theta energy: -10.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -81.632393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.632393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.632393 (E_RNA)
where:
Base-Base interactions energy: -35.634
where: short stacking energy: -35.634
Base-Backbone interact. energy: -0.018
local terms energy: -45.979612
where:
bonds (distance) C4'-P energy: -10.006
bonds (distance) P-C4' energy: -10.718
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -8.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -72.631866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.631866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.631866 (E_RNA)
where:
Base-Base interactions energy: -27.091
where: short stacking energy: -27.091
Base-Backbone interact. energy: -0.092
local terms energy: -45.448621
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -12.994
flat angles C4'-P-C4' energy: -10.009
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -3.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -63.332964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.332964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.332964 (E_RNA)
where:
Base-Base interactions energy: -21.780
where: short stacking energy: -21.780
Base-Backbone interact. energy: -0.141
local terms energy: -41.412471
where:
bonds (distance) C4'-P energy: -9.576
bonds (distance) P-C4' energy: -11.100
flat angles C4'-P-C4' energy: -11.223
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: -2.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -78.715443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.715443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.715443 (E_RNA)
where:
Base-Base interactions energy: -36.104
where: short stacking energy: -36.104
Base-Backbone interact. energy: -0.015
local terms energy: -42.595864
where:
bonds (distance) C4'-P energy: -4.601
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -9.522
flat angles P-C4'-P energy: -7.668
tors. eta vs tors. theta energy: -7.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -62.543324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.543324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.543324 (E_RNA)
where:
Base-Base interactions energy: -19.434
where: short stacking energy: -18.033
Base-Backbone interact. energy: 1.488
local terms energy: -44.596947
where:
bonds (distance) C4'-P energy: -6.164
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -9.284
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: 1, replica: 5
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -146.351060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.351060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.351060 (E_RNA)
where:
Base-Base interactions energy: -84.609
where: short stacking energy: -50.899
Base-Backbone interact. energy: -0.002
local terms energy: -61.740746
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -15.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -115.653666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.653666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.653666 (E_RNA)
where:
Base-Base interactions energy: -62.721
where: short stacking energy: -33.156
Base-Backbone interact. energy: -0.050
local terms energy: -52.882637
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -10.958
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -7.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -127.638385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.638385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.638385 (E_RNA)
where:
Base-Base interactions energy: -76.562
where: short stacking energy: -38.917
Base-Backbone interact. energy: -0.144
local terms energy: -50.932500
where:
bonds (distance) C4'-P energy: -10.515
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -10.114
flat angles P-C4'-P energy: -3.286
tors. eta vs tors. theta energy: -12.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -96.373482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.373482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.373482 (E_RNA)
where:
Base-Base interactions energy: -48.993
where: short stacking energy: -48.993
Base-Backbone interact. energy: -0.000
local terms energy: -47.380401
where:
bonds (distance) C4'-P energy: -7.290
bonds (distance) P-C4' energy: -9.454
flat angles C4'-P-C4' energy: -8.795
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -13.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -79.098628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.098628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.098628 (E_RNA)
where:
Base-Base interactions energy: -30.466
where: short stacking energy: -30.466
Base-Backbone interact. energy: -0.003
local terms energy: -48.629400
where:
bonds (distance) C4'-P energy: -11.133
bonds (distance) P-C4' energy: -10.489
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -5.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -64.801300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.801300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.801300 (E_RNA)
where:
Base-Base interactions energy: -25.087
where: short stacking energy: -25.087
Base-Backbone interact. energy: -0.378
local terms energy: -39.336588
where:
bonds (distance) C4'-P energy: -9.742
bonds (distance) P-C4' energy: -10.064
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -3.778
tors. eta vs tors. theta energy: -2.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -70.299654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.299654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.299654 (E_RNA)
where:
Base-Base interactions energy: -26.079
where: short stacking energy: -26.079
Base-Backbone interact. energy: -0.030
local terms energy: -44.191128
where:
bonds (distance) C4'-P energy: -9.853
bonds (distance) P-C4' energy: -9.635
flat angles C4'-P-C4' energy: -9.114
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -6.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -62.015163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.015163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.015163 (E_RNA)
where:
Base-Base interactions energy: -21.399
where: short stacking energy: -21.080
Base-Backbone interact. energy: -0.178
local terms energy: -40.438972
where:
bonds (distance) C4'-P energy: -6.983
bonds (distance) P-C4' energy: -8.924
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -7.226
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: 9, replica: 8
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -69.889355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.889355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.889355 (E_RNA)
where:
Base-Base interactions energy: -27.826
where: short stacking energy: -27.826
Base-Backbone interact. energy: -0.003
local terms energy: -42.060144
where:
bonds (distance) C4'-P energy: -8.603
bonds (distance) P-C4' energy: -7.423
flat angles C4'-P-C4' energy: -10.113
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -8.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -70.346621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.346621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.346621 (E_RNA)
where:
Base-Base interactions energy: -30.276
where: short stacking energy: -30.276
Base-Backbone interact. energy: -0.080
local terms energy: -39.990453
where:
bonds (distance) C4'-P energy: -5.974
bonds (distance) P-C4' energy: -7.958
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -6.079
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: 1, replica: 5
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -144.447750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.447750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.447750 (E_RNA)
where:
Base-Base interactions energy: -84.954
where: short stacking energy: -53.986
Base-Backbone interact. energy: -0.021
local terms energy: -59.472711
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -10.932
flat angles C4'-P-C4' energy: -10.206
flat angles P-C4'-P energy: -7.303
tors. eta vs tors. theta energy: -18.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -133.304197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.304197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.304197 (E_RNA)
where:
Base-Base interactions energy: -76.241
where: short stacking energy: -45.253
Base-Backbone interact. energy: -0.025
local terms energy: -57.037491
where:
bonds (distance) C4'-P energy: -8.938
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -14.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -125.045973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.045973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.045973 (E_RNA)
where:
Base-Base interactions energy: -70.068
where: short stacking energy: -42.056
Base-Backbone interact. energy: -0.060
local terms energy: -54.917577
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -10.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -80.922484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.922484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.922484 (E_RNA)
where:
Base-Base interactions energy: -31.667
where: short stacking energy: -27.540
Base-Backbone interact. energy: -0.024
local terms energy: -49.232018
where:
bonds (distance) C4'-P energy: -10.930
bonds (distance) P-C4' energy: -11.741
flat angles C4'-P-C4' energy: -10.520
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -6.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -84.712377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.712377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.712377 (E_RNA)
where:
Base-Base interactions energy: -39.713
where: short stacking energy: -39.713
Base-Backbone interact. energy: -0.096
local terms energy: -44.903324
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -8.785
flat angles P-C4'-P energy: -3.360
tors. eta vs tors. theta energy: -8.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -74.806457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.806457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.806457 (E_RNA)
where:
Base-Base interactions energy: -32.420
where: short stacking energy: -32.420
Base-Backbone interact. energy: -0.054
local terms energy: -42.332293
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -9.622
flat angles C4'-P-C4' energy: -9.446
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -2.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -83.117261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.117261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.117261 (E_RNA)
where:
Base-Base interactions energy: -33.642
where: short stacking energy: -25.086
Base-Backbone interact. energy: -0.018
local terms energy: -49.456978
where:
bonds (distance) C4'-P energy: -9.063
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -11.112
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -7.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -69.525984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.525984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.525984 (E_RNA)
where:
Base-Base interactions energy: -30.816
where: short stacking energy: -30.816
Base-Backbone interact. energy: 0.196
local terms energy: -38.905339
where:
bonds (distance) C4'-P energy: -9.508
bonds (distance) P-C4' energy: -9.339
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -2.311
tors. eta vs tors. theta energy: -4.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -72.546123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.546123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.546123 (E_RNA)
where:
Base-Base interactions energy: -35.556
where: short stacking energy: -30.778
Base-Backbone interact. energy: -0.116
local terms energy: -36.874788
where:
bonds (distance) C4'-P energy: -1.407
bonds (distance) P-C4' energy: -11.057
flat angles C4'-P-C4' energy: -9.881
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -6.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -54.278620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.278620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.278620 (E_RNA)
where:
Base-Base interactions energy: -16.968
where: short stacking energy: -16.968
Base-Backbone interact. energy: -0.290
local terms energy: -37.020079
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -4.669
flat angles P-C4'-P energy: -7.168
tors. eta vs tors. theta energy: 0.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -144.146439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.146439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.146439 (E_RNA)
where:
Base-Base interactions energy: -87.298
where: short stacking energy: -54.750
Base-Backbone interact. energy: -0.042
local terms energy: -56.807322
where:
bonds (distance) C4'-P energy: -8.856
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -8.510
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: 2, replica: 9
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -137.842470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.842470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.842470 (E_RNA)
where:
Base-Base interactions energy: -85.970
where: short stacking energy: -50.409
Base-Backbone interact. energy: -0.068
local terms energy: -51.803885
where:
bonds (distance) C4'-P energy: -11.446
bonds (distance) P-C4' energy: -7.504
flat angles C4'-P-C4' energy: -9.954
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: -15.463
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: 4
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -134.580492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.580492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.580492 (E_RNA)
where:
Base-Base interactions energy: -74.994
where: short stacking energy: -42.176
Base-Backbone interact. energy: -0.053
local terms energy: -59.534097
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: -12.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -92.761377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.761377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.761377 (E_RNA)
where:
Base-Base interactions energy: -42.970
where: short stacking energy: -33.681
Base-Backbone interact. energy: -0.000
local terms energy: -49.791320
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -9.920
flat angles C4'-P-C4' energy: -12.448
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -7.800
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: 6
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -92.118912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.118912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.118912 (E_RNA)
where:
Base-Base interactions energy: -41.782
where: short stacking energy: -42.382
Base-Backbone interact. energy: -0.143
local terms energy: -50.194148
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -10.330
flat angles P-C4'-P energy: -5.997
tors. eta vs tors. theta energy: -9.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -75.318226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.318226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.318226 (E_RNA)
where:
Base-Base interactions energy: -36.604
where: short stacking energy: -22.011
Base-Backbone interact. energy: -0.145
local terms energy: -38.568809
where:
bonds (distance) C4'-P energy: -10.131
bonds (distance) P-C4' energy: -9.495
flat angles C4'-P-C4' energy: -6.885
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -2.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -76.240653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.240653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.240653 (E_RNA)
where:
Base-Base interactions energy: -32.780
where: short stacking energy: -23.297
Base-Backbone interact. energy: -0.068
local terms energy: -43.393183
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -10.826
flat angles C4'-P-C4' energy: -8.946
flat angles P-C4'-P energy: -5.141
tors. eta vs tors. theta energy: -5.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -67.632518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.632518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.632518 (E_RNA)
where:
Base-Base interactions energy: -26.522
where: short stacking energy: -26.522
Base-Backbone interact. energy: -0.020
local terms energy: -41.090565
where:
bonds (distance) C4'-P energy: -11.281
bonds (distance) P-C4' energy: -10.358
flat angles C4'-P-C4' energy: -9.077
flat angles P-C4'-P energy: -4.086
tors. eta vs tors. theta energy: -6.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -68.340104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.340104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.340104 (E_RNA)
where:
Base-Base interactions energy: -23.050
where: short stacking energy: -22.313
Base-Backbone interact. energy: -0.683
local terms energy: -44.607371
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -10.330
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -3.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -57.743878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.743878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.743878 (E_RNA)
where:
Base-Base interactions energy: -19.605
where: short stacking energy: -19.605
Base-Backbone interact. energy: -0.141
local terms energy: -37.997825
where:
bonds (distance) C4'-P energy: -9.936
bonds (distance) P-C4' energy: -9.450
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -5.123
tors. eta vs tors. theta energy: -1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -140.413865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.413865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.413865 (E_RNA)
where:
Base-Base interactions energy: -80.179
where: short stacking energy: -44.343
Base-Backbone interact. energy: -0.016
local terms energy: -60.219404
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -12.346
flat angles P-C4'-P energy: -6.671
tors. eta vs tors. theta energy: -15.763
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: 4
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -146.202821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.202821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.202821 (E_RNA)
where:
Base-Base interactions energy: -91.738
where: short stacking energy: -54.650
Base-Backbone interact. energy: -0.194
local terms energy: -54.271472
where:
bonds (distance) C4'-P energy: -11.513
bonds (distance) P-C4' energy: -8.833
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -6.521
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: 9
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -131.859526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.859526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.859526 (E_RNA)
where:
Base-Base interactions energy: -75.934
where: short stacking energy: -43.264
Base-Backbone interact. energy: -0.043
local terms energy: -55.883054
where:
bonds (distance) C4'-P energy: -10.267
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -4.965
tors. eta vs tors. theta energy: -14.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -96.784750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.784750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.784750 (E_RNA)
where:
Base-Base interactions energy: -49.208
where: short stacking energy: -37.594
Base-Backbone interact. energy: -0.091
local terms energy: -47.486575
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -9.924
flat angles C4'-P-C4' energy: -11.034
flat angles P-C4'-P energy: -6.067
tors. eta vs tors. theta energy: -9.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -82.374758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.374758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.374758 (E_RNA)
where:
Base-Base interactions energy: -31.255
where: short stacking energy: -31.255
Base-Backbone interact. energy: -0.089
local terms energy: -51.031332
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -10.330
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -6.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -85.530757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.530757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.530757 (E_RNA)
where:
Base-Base interactions energy: -37.274
where: short stacking energy: -37.274
Base-Backbone interact. energy: -0.042
local terms energy: -48.214095
where:
bonds (distance) C4'-P energy: -8.851
bonds (distance) P-C4' energy: -11.867
flat angles C4'-P-C4' energy: -10.727
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -8.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -69.326200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.326200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.326200 (E_RNA)
where:
Base-Base interactions energy: -33.479
where: short stacking energy: -31.738
Base-Backbone interact. energy: -0.247
local terms energy: -35.600083
where:
bonds (distance) C4'-P energy: -4.959
bonds (distance) P-C4' energy: -10.817
flat angles C4'-P-C4' energy: -11.274
flat angles P-C4'-P energy: -5.580
tors. eta vs tors. theta energy: -2.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -63.652614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.652614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.652614 (E_RNA)
where:
Base-Base interactions energy: -22.831
where: short stacking energy: -22.831
Base-Backbone interact. energy: -0.021
local terms energy: -40.801124
where:
bonds (distance) C4'-P energy: -9.616
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -7.083
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: -3.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -57.561547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.561547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.561547 (E_RNA)
where:
Base-Base interactions energy: -19.965
where: short stacking energy: -19.965
Base-Backbone interact. energy: -0.125
local terms energy: -37.471538
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -7.848
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: 1.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -62.508635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.508635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.508635 (E_RNA)
where:
Base-Base interactions energy: -22.550
where: short stacking energy: -22.550
Base-Backbone interact. energy: -0.154
local terms energy: -39.804694
where:
bonds (distance) C4'-P energy: -8.521
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -7.050
flat angles P-C4'-P energy: -5.307
tors. eta vs tors. theta energy: -6.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -134.574969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.574969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.574969 (E_RNA)
where:
Base-Base interactions energy: -75.617
where: short stacking energy: -43.949
Base-Backbone interact. energy: -0.045
local terms energy: -58.912421
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -4.070
tors. eta vs tors. theta energy: -15.744
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: 2, replica: 4
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -135.881511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.881511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.881511 (E_RNA)
where:
Base-Base interactions energy: -76.190
where: short stacking energy: -48.704
Base-Backbone interact. energy: -0.060
local terms energy: -59.631706
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -5.217
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: 3, replica: 9
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -130.274113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.274113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.274113 (E_RNA)
where:
Base-Base interactions energy: -76.756
where: short stacking energy: -42.906
Base-Backbone interact. energy: -0.014
local terms energy: -53.504532
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -11.133
flat angles P-C4'-P energy: -7.098
tors. eta vs tors. theta energy: -10.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -90.129795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.129795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.129795 (E_RNA)
where:
Base-Base interactions energy: -39.246
where: short stacking energy: -39.246
Base-Backbone interact. energy: -0.007
local terms energy: -50.877311
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -8.713
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -9.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -90.565489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.565489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.565489 (E_RNA)
where:
Base-Base interactions energy: -39.291
where: short stacking energy: -33.746
Base-Backbone interact. energy: -0.061
local terms energy: -51.213431
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -6.208
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: 6, replica: 6
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -78.185307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.185307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.185307 (E_RNA)
where:
Base-Base interactions energy: -31.996
where: short stacking energy: -29.924
Base-Backbone interact. energy: -0.094
local terms energy: -46.094697
where:
bonds (distance) C4'-P energy: -9.882
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -5.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -75.664373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.664373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.664373 (E_RNA)
where:
Base-Base interactions energy: -26.036
where: short stacking energy: -26.036
Base-Backbone interact. energy: -0.020
local terms energy: -49.608236
where:
bonds (distance) C4'-P energy: -11.807
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -3.373
tors. eta vs tors. theta energy: -8.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -61.146725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.146725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.146725 (E_RNA)
where:
Base-Base interactions energy: -22.372
where: short stacking energy: -22.372
Base-Backbone interact. energy: -0.003
local terms energy: -38.772177
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -7.397
flat angles C4'-P-C4' energy: -9.202
flat angles P-C4'-P energy: -6.287
tors. eta vs tors. theta energy: -2.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -78.237241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.237241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.237241 (E_RNA)
where:
Base-Base interactions energy: -28.643
where: short stacking energy: -28.643
Base-Backbone interact. energy: -0.188
local terms energy: -49.405669
where:
bonds (distance) C4'-P energy: -10.900
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -4.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -63.293586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.293586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.293586 (E_RNA)
where:
Base-Base interactions energy: -19.850
where: short stacking energy: -19.850
Base-Backbone interact. energy: -0.048
local terms energy: -43.396203
where:
bonds (distance) C4'-P energy: -10.566
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -10.498
flat angles P-C4'-P energy: -5.767
tors. eta vs tors. theta energy: -3.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -134.739136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.739136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.739136 (E_RNA)
where:
Base-Base interactions energy: -77.323
where: short stacking energy: -46.086
Base-Backbone interact. energy: -0.027
local terms energy: -57.388959
where:
bonds (distance) C4'-P energy: -10.462
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -11.884
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -14.847
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: 9
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -126.089814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.089814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.089814 (E_RNA)
where:
Base-Base interactions energy: -74.276
where: short stacking energy: -39.680
Base-Backbone interact. energy: -0.090
local terms energy: -51.723554
where:
bonds (distance) C4'-P energy: -12.925
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -9.516
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: -10.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -141.257936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.257936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.257936 (E_RNA)
where:
Base-Base interactions energy: -81.909
where: short stacking energy: -50.323
Base-Backbone interact. energy: -0.007
local terms energy: -59.341788
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -14.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -114.428795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.428795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.428795 (E_RNA)
where:
Base-Base interactions energy: -60.418
where: short stacking energy: -41.126
Base-Backbone interact. energy: -0.004
local terms energy: -54.006809
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -6.605
tors. eta vs tors. theta energy: -9.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -85.227246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.227246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.227246 (E_RNA)
where:
Base-Base interactions energy: -35.678
where: short stacking energy: -35.678
Base-Backbone interact. energy: -0.007
local terms energy: -49.541816
where:
bonds (distance) C4'-P energy: -8.756
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -11.091
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -7.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -73.007050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.007050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.007050 (E_RNA)
where:
Base-Base interactions energy: -29.165
where: short stacking energy: -29.165
Base-Backbone interact. energy: -0.020
local terms energy: -43.822556
where:
bonds (distance) C4'-P energy: -9.480
bonds (distance) P-C4' energy: -11.026
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -5.366
tors. eta vs tors. theta energy: -7.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -75.719620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.719620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.719620 (E_RNA)
where:
Base-Base interactions energy: -34.157
where: short stacking energy: -19.730
Base-Backbone interact. energy: 0.511
local terms energy: -42.073449
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -12.392
flat angles C4'-P-C4' energy: -9.086
flat angles P-C4'-P energy: -5.048
tors. eta vs tors. theta energy: -2.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -70.616787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.616787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.616787 (E_RNA)
where:
Base-Base interactions energy: -26.474
where: short stacking energy: -26.474
Base-Backbone interact. energy: -0.004
local terms energy: -44.138920
where:
bonds (distance) C4'-P energy: -9.558
bonds (distance) P-C4' energy: -10.377
flat angles C4'-P-C4' energy: -11.630
flat angles P-C4'-P energy: -5.908
tors. eta vs tors. theta energy: -6.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -70.629264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.629264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.629264 (E_RNA)
where:
Base-Base interactions energy: -29.880
where: short stacking energy: -29.842
Base-Backbone interact. energy: -0.140
local terms energy: -40.608853
where:
bonds (distance) C4'-P energy: -9.025
bonds (distance) P-C4' energy: -11.615
flat angles C4'-P-C4' energy: -6.477
flat angles P-C4'-P energy: -7.639
tors. eta vs tors. theta energy: -5.852
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: 1
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -72.844948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.844948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.844948 (E_RNA)
where:
Base-Base interactions energy: -34.250
where: short stacking energy: -24.031
Base-Backbone interact. energy: -0.228
local terms energy: -38.367085
where:
bonds (distance) C4'-P energy: -6.993
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -10.349
flat angles P-C4'-P energy: -5.335
tors. eta vs tors. theta energy: -3.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -150.244117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.244117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.244117 (E_RNA)
where:
Base-Base interactions energy: -88.943
where: short stacking energy: -54.889
Base-Backbone interact. energy: -0.009
local terms energy: -61.291491
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -11.246
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -10.333
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: 2, replica: 5
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -133.108347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.108347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.108347 (E_RNA)
where:
Base-Base interactions energy: -78.461
where: short stacking energy: -41.607
Base-Backbone interact. energy: -0.152
local terms energy: -54.495072
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -9.726
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -12.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -128.537677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.537677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.537677 (E_RNA)
where:
Base-Base interactions energy: -71.277
where: short stacking energy: -54.069
Base-Backbone interact. energy: -0.041
local terms energy: -57.220086
where:
bonds (distance) C4'-P energy: -10.292
bonds (distance) P-C4' energy: -10.569
flat angles C4'-P-C4' energy: -11.524
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -16.707
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: 4, replica: 4
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -117.225178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.225178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.225178 (E_RNA)
where:
Base-Base interactions energy: -63.611
where: short stacking energy: -37.930
Base-Backbone interact. energy: -0.232
local terms energy: -53.382046
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -10.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -82.051164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.051164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.051164 (E_RNA)
where:
Base-Base interactions energy: -38.628
where: short stacking energy: -27.720
Base-Backbone interact. energy: -0.033
local terms energy: -43.389911
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -11.504
flat angles C4'-P-C4' energy: -8.759
flat angles P-C4'-P energy: -3.489
tors. eta vs tors. theta energy: -6.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -78.234252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.234252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.234252 (E_RNA)
where:
Base-Base interactions energy: -33.627
where: short stacking energy: -33.627
Base-Backbone interact. energy: -0.121
local terms energy: -44.486465
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -7.499
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -5.226
tors. eta vs tors. theta energy: -5.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -84.555304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.555304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.555304 (E_RNA)
where:
Base-Base interactions energy: -40.727
where: short stacking energy: -40.727
Base-Backbone interact. energy: -0.007
local terms energy: -43.821335
where:
bonds (distance) C4'-P energy: -8.213
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -9.042
flat angles P-C4'-P energy: -5.283
tors. eta vs tors. theta energy: -8.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -63.592604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.592604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.592604 (E_RNA)
where:
Base-Base interactions energy: -24.301
where: short stacking energy: -25.501
Base-Backbone interact. energy: -0.424
local terms energy: -38.867953
where:
bonds (distance) C4'-P energy: -11.816
bonds (distance) P-C4' energy: -9.393
flat angles C4'-P-C4' energy: -7.027
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -2.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -63.826280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.826280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.826280 (E_RNA)
where:
Base-Base interactions energy: -27.980
where: short stacking energy: -14.451
Base-Backbone interact. energy: -0.096
local terms energy: -35.749898
where:
bonds (distance) C4'-P energy: -10.735
bonds (distance) P-C4' energy: -6.888
flat angles C4'-P-C4' energy: -10.221
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -0.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -62.357855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.357855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.357855 (E_RNA)
where:
Base-Base interactions energy: -21.334
where: short stacking energy: -20.378
Base-Backbone interact. energy: 1.562
local terms energy: -42.585695
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -9.732
flat angles C4'-P-C4' energy: -9.717
flat angles P-C4'-P energy: -6.196
tors. eta vs tors. theta energy: -5.852
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: 9
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -150.966148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.966148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.966148 (E_RNA)
where:
Base-Base interactions energy: -95.005
where: short stacking energy: -56.184
Base-Backbone interact. energy: -0.096
local terms energy: -55.865640
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -11.209
flat angles C4'-P-C4' energy: -10.664
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -15.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -131.432879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.432879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.432879 (E_RNA)
where:
Base-Base interactions energy: -71.097
where: short stacking energy: -48.590
Base-Backbone interact. energy: -0.017
local terms energy: -60.318150
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -11.305
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: 5
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -131.091423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.091423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.091423 (E_RNA)
where:
Base-Base interactions energy: -73.365
where: short stacking energy: -48.825
Base-Backbone interact. energy: -0.120
local terms energy: -57.606572
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -12.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -134.525268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.525268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.525268 (E_RNA)
where:
Base-Base interactions energy: -77.030
where: short stacking energy: -46.758
Base-Backbone interact. energy: -0.061
local terms energy: -57.433798
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -10.089
flat angles P-C4'-P energy: -7.180
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: 55
Temperature: 1.100000
Total energy: -82.428183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.428183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.428183 (E_RNA)
where:
Base-Base interactions energy: -33.992
where: short stacking energy: -30.865
Base-Backbone interact. energy: -1.073
local terms energy: -47.362732
where:
bonds (distance) C4'-P energy: -11.185
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -7.748
tors. eta vs tors. theta energy: -4.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -73.902915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.902915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.902915 (E_RNA)
where:
Base-Base interactions energy: -33.251
where: short stacking energy: -25.293
Base-Backbone interact. energy: -0.033
local terms energy: -40.619181
where:
bonds (distance) C4'-P energy: -6.640
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -8.220
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -4.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -78.933723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.933723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.933723 (E_RNA)
where:
Base-Base interactions energy: -35.473
where: short stacking energy: -31.968
Base-Backbone interact. energy: -0.100
local terms energy: -43.361210
where:
bonds (distance) C4'-P energy: -8.797
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -10.203
flat angles P-C4'-P energy: -5.228
tors. eta vs tors. theta energy: -5.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -73.355832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.355832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.355832 (E_RNA)
where:
Base-Base interactions energy: -23.433
where: short stacking energy: -23.433
Base-Backbone interact. energy: -0.075
local terms energy: -49.847824
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -9.716
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -6.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -65.305107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.305107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.305107 (E_RNA)
where:
Base-Base interactions energy: -23.449
where: short stacking energy: -23.449
Base-Backbone interact. energy: -0.045
local terms energy: -41.811058
where:
bonds (distance) C4'-P energy: -9.514
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -0.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -62.856342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.856342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.856342 (E_RNA)
where:
Base-Base interactions energy: -24.713
where: short stacking energy: -24.022
Base-Backbone interact. energy: 1.810
local terms energy: -39.953484
where:
bonds (distance) C4'-P energy: -7.415
bonds (distance) P-C4' energy: -8.153
flat angles C4'-P-C4' energy: -10.135
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -4.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -133.720976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.720976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.720976 (E_RNA)
where:
Base-Base interactions energy: -69.435
where: short stacking energy: -49.928
Base-Backbone interact. energy: -0.014
local terms energy: -64.272099
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -11.002
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -15.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -139.399583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.399583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.399583 (E_RNA)
where:
Base-Base interactions energy: -77.768
where: short stacking energy: -48.213
Base-Backbone interact. energy: -0.002
local terms energy: -61.629950
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -12.593
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: -16.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -141.111060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.111060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.111060 (E_RNA)
where:
Base-Base interactions energy: -82.969
where: short stacking energy: -47.868
Base-Backbone interact. energy: -0.016
local terms energy: -58.125393
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -11.020
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -13.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -123.698452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.698452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.698452 (E_RNA)
where:
Base-Base interactions energy: -71.098
where: short stacking energy: -43.326
Base-Backbone interact. energy: -0.003
local terms energy: -52.598112
where:
bonds (distance) C4'-P energy: -8.806
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -10.808
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -10.449
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: 56
Temperature: 1.100000
Total energy: -79.384203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.384203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.384203 (E_RNA)
where:
Base-Base interactions energy: -37.547
where: short stacking energy: -37.547
Base-Backbone interact. energy: -0.002
local terms energy: -41.834869
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -8.122
flat angles C4'-P-C4' energy: -7.853
flat angles P-C4'-P energy: -7.053
tors. eta vs tors. theta energy: -6.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -78.206201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.206201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.206201 (E_RNA)
where:
Base-Base interactions energy: -29.574
where: short stacking energy: -28.795
Base-Backbone interact. energy: -0.067
local terms energy: -48.565701
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -3.648
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: 8
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -75.053746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.053746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.053746 (E_RNA)
where:
Base-Base interactions energy: -27.416
where: short stacking energy: -27.416
Base-Backbone interact. energy: -0.002
local terms energy: -47.635557
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -11.359
flat angles P-C4'-P energy: -4.867
tors. eta vs tors. theta energy: -7.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -80.654435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.654435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.654435 (E_RNA)
where:
Base-Base interactions energy: -34.678
where: short stacking energy: -34.678
Base-Backbone interact. energy: -0.002
local terms energy: -45.973941
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -12.116
flat angles C4'-P-C4' energy: -9.007
flat angles P-C4'-P energy: -4.792
tors. eta vs tors. theta energy: -7.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -71.400055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.400055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.400055 (E_RNA)
where:
Base-Base interactions energy: -30.994
where: short stacking energy: -30.994
Base-Backbone interact. energy: -0.173
local terms energy: -40.232079
where:
bonds (distance) C4'-P energy: -9.079
bonds (distance) P-C4' energy: -10.247
flat angles C4'-P-C4' energy: -5.961
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -5.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -62.070852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.070852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.070852 (E_RNA)
where:
Base-Base interactions energy: -20.818
where: short stacking energy: -20.818
Base-Backbone interact. energy: -0.066
local terms energy: -41.186263
where:
bonds (distance) C4'-P energy: -4.657
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -9.256
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -5.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -133.635090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.635090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.635090 (E_RNA)
where:
Base-Base interactions energy: -77.174
where: short stacking energy: -50.301
Base-Backbone interact. energy: -0.082
local terms energy: -56.378816
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -3.010
tors. eta vs tors. theta energy: -14.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -135.127279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.127279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.127279 (E_RNA)
where:
Base-Base interactions energy: -79.789
where: short stacking energy: -50.353
Base-Backbone interact. energy: -0.053
local terms energy: -55.286022
where:
bonds (distance) C4'-P energy: -7.861
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -12.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -128.810042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.810042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.810042 (E_RNA)
where:
Base-Base interactions energy: -69.289
where: short stacking energy: -42.001
Base-Backbone interact. energy: -0.010
local terms energy: -59.511216
where:
bonds (distance) C4'-P energy: -11.902
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -11.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -112.907890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.907890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.907890 (E_RNA)
where:
Base-Base interactions energy: -65.198
where: short stacking energy: -33.761
Base-Backbone interact. energy: -0.042
local terms energy: -47.667483
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -8.779
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -6.969
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: 5, replica: 10
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -81.779855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.779855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.779855 (E_RNA)
where:
Base-Base interactions energy: -38.387
where: short stacking energy: -38.387
Base-Backbone interact. energy: -0.006
local terms energy: -43.386900
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -7.368
flat angles C4'-P-C4' energy: -8.521
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -8.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -80.939066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.939066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.939066 (E_RNA)
where:
Base-Base interactions energy: -33.304
where: short stacking energy: -33.304
Base-Backbone interact. energy: -0.109
local terms energy: -47.526055
where:
bonds (distance) C4'-P energy: -10.566
bonds (distance) P-C4' energy: -10.664
flat angles C4'-P-C4' energy: -10.362
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -6.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -91.237618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.237618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.237618 (E_RNA)
where:
Base-Base interactions energy: -35.904
where: short stacking energy: -35.904
Base-Backbone interact. energy: -0.000
local terms energy: -55.333108
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -3.114
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: 8, replica: 7
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -70.366204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.366204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.366204 (E_RNA)
where:
Base-Base interactions energy: -26.605
where: short stacking energy: -26.605
Base-Backbone interact. energy: -0.147
local terms energy: -43.613817
where:
bonds (distance) C4'-P energy: -10.218
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -7.896
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -4.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -68.369902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.369902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.369902 (E_RNA)
where:
Base-Base interactions energy: -28.362
where: short stacking energy: -28.362
Base-Backbone interact. energy: -0.062
local terms energy: -39.945881
where:
bonds (distance) C4'-P energy: -10.255
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -10.550
flat angles P-C4'-P energy: -3.233
tors. eta vs tors. theta energy: -4.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -56.116304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.116304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.116304 (E_RNA)
where:
Base-Base interactions energy: -20.281
where: short stacking energy: -20.281
Base-Backbone interact. energy: 0.140
local terms energy: -35.975350
where:
bonds (distance) C4'-P energy: -9.149
bonds (distance) P-C4' energy: -11.010
flat angles C4'-P-C4' energy: -9.731
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: 1.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -141.114436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.114436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.114436 (E_RNA)
where:
Base-Base interactions energy: -80.961
where: short stacking energy: -51.341
Base-Backbone interact. energy: 0.006
local terms energy: -60.159109
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -14.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -125.052557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.052557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.052557 (E_RNA)
where:
Base-Base interactions energy: -70.006
where: short stacking energy: -48.172
Base-Backbone interact. energy: -0.066
local terms energy: -54.979806
where:
bonds (distance) C4'-P energy: -10.196
bonds (distance) P-C4' energy: -10.955
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -10.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -131.578402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.578402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.578402 (E_RNA)
where:
Base-Base interactions energy: -75.356
where: short stacking energy: -47.555
Base-Backbone interact. energy: -0.058
local terms energy: -56.164480
where:
bonds (distance) C4'-P energy: -7.403
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -14.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -120.373918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.373918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.373918 (E_RNA)
where:
Base-Base interactions energy: -69.609
where: short stacking energy: -39.213
Base-Backbone interact. energy: -0.220
local terms energy: -50.545303
where:
bonds (distance) C4'-P energy: -10.118
bonds (distance) P-C4' energy: -11.028
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -5.321
tors. eta vs tors. theta energy: -12.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -77.823438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.823438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.823438 (E_RNA)
where:
Base-Base interactions energy: -29.234
where: short stacking energy: -29.234
Base-Backbone interact. energy: -0.103
local terms energy: -48.486061
where:
bonds (distance) C4'-P energy: -8.830
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -6.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -73.500978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.500978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.500978 (E_RNA)
where:
Base-Base interactions energy: -27.731
where: short stacking energy: -27.831
Base-Backbone interact. energy: -0.058
local terms energy: -45.712379
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -10.133
flat angles P-C4'-P energy: -6.901
tors. eta vs tors. theta energy: -5.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -74.950771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.950771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.950771 (E_RNA)
where:
Base-Base interactions energy: -26.239
where: short stacking energy: -26.239
Base-Backbone interact. energy: -0.100
local terms energy: -48.611471
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -11.046
flat angles C4'-P-C4' energy: -6.942
flat angles P-C4'-P energy: -6.306
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: 8, replica: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -60.976777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.976777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.976777 (E_RNA)
where:
Base-Base interactions energy: -18.184
where: short stacking energy: -17.726
Base-Backbone interact. energy: -0.120
local terms energy: -42.672646
where:
bonds (distance) C4'-P energy: -10.581
bonds (distance) P-C4' energy: -11.878
flat angles C4'-P-C4' energy: -10.086
flat angles P-C4'-P energy: -7.692
tors. eta vs tors. theta energy: -2.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -57.605110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.605110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.605110 (E_RNA)
where:
Base-Base interactions energy: -18.300
where: short stacking energy: -18.300
Base-Backbone interact. energy: -0.009
local terms energy: -39.296748
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -8.950
flat angles C4'-P-C4' energy: -10.439
flat angles P-C4'-P energy: -5.825
tors. eta vs tors. theta energy: -2.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -60.907403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.907403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.907403 (E_RNA)
where:
Base-Base interactions energy: -20.281
where: short stacking energy: -20.281
Base-Backbone interact. energy: -0.939
local terms energy: -39.687549
where:
bonds (distance) C4'-P energy: -3.755
bonds (distance) P-C4' energy: -13.178
flat angles C4'-P-C4' energy: -11.708
flat angles P-C4'-P energy: -5.878
tors. eta vs tors. theta energy: -5.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -132.745205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.745205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.745205 (E_RNA)
where:
Base-Base interactions energy: -82.069
where: short stacking energy: -46.384
Base-Backbone interact. energy: -0.095
local terms energy: -50.580955
where:
bonds (distance) C4'-P energy: -9.844
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -11.348
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: -8.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -127.133116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.133116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.133116 (E_RNA)
where:
Base-Base interactions energy: -76.217
where: short stacking energy: -47.104
Base-Backbone interact. energy: -0.009
local terms energy: -50.907992
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -13.147
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -3.958
tors. eta vs tors. theta energy: -10.103
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: 3, replica: 3
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -113.168160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.168160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.168160 (E_RNA)
where:
Base-Base interactions energy: -60.020
where: short stacking energy: -39.571
Base-Backbone interact. energy: -0.060
local terms energy: -53.087613
where:
bonds (distance) C4'-P energy: -10.403
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -9.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -126.157249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.157249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.157249 (E_RNA)
where:
Base-Base interactions energy: -80.012
where: short stacking energy: -51.077
Base-Backbone interact. energy: 1.852
local terms energy: -47.996974
where:
bonds (distance) C4'-P energy: -12.590
bonds (distance) P-C4' energy: -5.839
flat angles C4'-P-C4' energy: -9.665
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -12.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -86.284762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.284762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.284762 (E_RNA)
where:
Base-Base interactions energy: -40.729
where: short stacking energy: -40.729
Base-Backbone interact. energy: -0.027
local terms energy: -45.528336
where:
bonds (distance) C4'-P energy: -10.005
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -3.677
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -9.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -69.012777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.012777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.012777 (E_RNA)
where:
Base-Base interactions energy: -28.131
where: short stacking energy: -28.131
Base-Backbone interact. energy: -0.045
local terms energy: -40.837040
where:
bonds (distance) C4'-P energy: -9.294
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -10.602
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: -1.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -76.722987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.722987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.722987 (E_RNA)
where:
Base-Base interactions energy: -32.514
where: short stacking energy: -32.514
Base-Backbone interact. energy: -0.025
local terms energy: -44.183973
where:
bonds (distance) C4'-P energy: -8.886
bonds (distance) P-C4' energy: -9.255
flat angles C4'-P-C4' energy: -10.306
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -8.022
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: 6
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -64.018393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.018393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.018393 (E_RNA)
where:
Base-Base interactions energy: -23.028
where: short stacking energy: -23.028
Base-Backbone interact. energy: -0.006
local terms energy: -40.984455
where:
bonds (distance) C4'-P energy: -10.072
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -8.872
flat angles P-C4'-P energy: -5.772
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: 9, replica: 8
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -56.851819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.851819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.851819 (E_RNA)
where:
Base-Base interactions energy: -20.764
where: short stacking energy: -19.929
Base-Backbone interact. energy: -0.051
local terms energy: -36.036667
where:
bonds (distance) C4'-P energy: -8.471
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -11.043
flat angles P-C4'-P energy: -5.350
tors. eta vs tors. theta energy: 0.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -66.105641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.105641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.105641 (E_RNA)
where:
Base-Base interactions energy: -24.491
where: short stacking energy: -24.491
Base-Backbone interact. energy: -0.007
local terms energy: -41.607956
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -7.306
flat angles P-C4'-P energy: -5.856
tors. eta vs tors. theta energy: -1.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -136.891753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.891753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.891753 (E_RNA)
where:
Base-Base interactions energy: -79.525
where: short stacking energy: -46.337
Base-Backbone interact. energy: -0.173
local terms energy: -57.193817
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -12.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -143.868064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.868064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.868064 (E_RNA)
where:
Base-Base interactions energy: -81.809
where: short stacking energy: -48.980
Base-Backbone interact. energy: -0.003
local terms energy: -62.056180
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -6.297
tors. eta vs tors. theta energy: -14.937
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: 3, replica: 5
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -121.568143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.568143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.568143 (E_RNA)
where:
Base-Base interactions energy: -70.027
where: short stacking energy: -35.050
Base-Backbone interact. energy: -0.097
local terms energy: -51.443539
where:
bonds (distance) C4'-P energy: -10.478
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -5.648
tors. eta vs tors. theta energy: -11.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -90.448500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.448500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.448500 (E_RNA)
where:
Base-Base interactions energy: -43.151
where: short stacking energy: -36.262
Base-Backbone interact. energy: 1.831
local terms energy: -49.128536
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -8.867
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -5.282
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: 7
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -84.973132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.973132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.973132 (E_RNA)
where:
Base-Base interactions energy: -32.127
where: short stacking energy: -32.127
Base-Backbone interact. energy: -0.173
local terms energy: -52.672947
where:
bonds (distance) C4'-P energy: -10.690
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -10.413
flat angles P-C4'-P energy: -7.065
tors. eta vs tors. theta energy: -11.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -96.609653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.609653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.609653 (E_RNA)
where:
Base-Base interactions energy: -49.329
where: short stacking energy: -49.329
Base-Backbone interact. energy: -0.087
local terms energy: -47.193422
where:
bonds (distance) C4'-P energy: -7.200
bonds (distance) P-C4' energy: -10.521
flat angles C4'-P-C4' energy: -11.875
flat angles P-C4'-P energy: -3.914
tors. eta vs tors. theta energy: -13.685
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: 7, replica: 6
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -85.518633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.518633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.518633 (E_RNA)
where:
Base-Base interactions energy: -36.705
where: short stacking energy: -30.690
Base-Backbone interact. energy: -0.090
local terms energy: -48.723264
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -10.580
flat angles C4'-P-C4' energy: -10.625
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: -8.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -62.584039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.584039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.584039 (E_RNA)
where:
Base-Base interactions energy: -30.078
where: short stacking energy: -30.078
Base-Backbone interact. energy: -0.069
local terms energy: -32.436974
where:
bonds (distance) C4'-P energy: -5.437
bonds (distance) P-C4' energy: -5.561
flat angles C4'-P-C4' energy: -10.603
flat angles P-C4'-P energy: -4.478
tors. eta vs tors. theta energy: -6.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -64.750873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.750873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.750873 (E_RNA)
where:
Base-Base interactions energy: -22.491
where: short stacking energy: -22.307
Base-Backbone interact. energy: -0.005
local terms energy: -42.254476
where:
bonds (distance) C4'-P energy: -9.907
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -4.735
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: 8
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -63.294444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.294444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.294444 (E_RNA)
where:
Base-Base interactions energy: -23.220
where: short stacking energy: -20.795
Base-Backbone interact. energy: -1.615
local terms energy: -38.459572
where:
bonds (distance) C4'-P energy: -11.352
bonds (distance) P-C4' energy: -10.916
flat angles C4'-P-C4' energy: -11.322
flat angles P-C4'-P energy: -4.900
tors. eta vs tors. theta energy: 0.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -141.063200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.063200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.063200 (E_RNA)
where:
Base-Base interactions energy: -83.879
where: short stacking energy: -50.513
Base-Backbone interact. energy: -0.002
local terms energy: -57.182031
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -12.005
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: 2, replica: 9
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -128.466785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.466785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.466785 (E_RNA)
where:
Base-Base interactions energy: -68.226
where: short stacking energy: -41.112
Base-Backbone interact. energy: -0.043
local terms energy: -60.197928
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -11.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -115.688409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.688409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.688409 (E_RNA)
where:
Base-Base interactions energy: -63.774
where: short stacking energy: -34.175
Base-Backbone interact. energy: 0.352
local terms energy: -52.267179
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -11.863
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -7.794
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: 7
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -98.826111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.826111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.826111 (E_RNA)
where:
Base-Base interactions energy: -48.860
where: short stacking energy: -35.321
Base-Backbone interact. energy: -0.163
local terms energy: -49.803268
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -10.749
flat angles C4'-P-C4' energy: -11.322
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -7.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -90.505029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.505029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.505029 (E_RNA)
where:
Base-Base interactions energy: -41.032
where: short stacking energy: -26.729
Base-Backbone interact. energy: -0.170
local terms energy: -49.302603
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -3.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -68.918939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.918939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.918939 (E_RNA)
where:
Base-Base interactions energy: -22.422
where: short stacking energy: -22.422
Base-Backbone interact. energy: -0.080
local terms energy: -46.417451
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -10.713
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -2.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -88.246258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.246258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.246258 (E_RNA)
where:
Base-Base interactions energy: -37.683
where: short stacking energy: -37.683
Base-Backbone interact. energy: -0.097
local terms energy: -50.466076
where:
bonds (distance) C4'-P energy: -8.717
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -7.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -71.009451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.009451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.009451 (E_RNA)
where:
Base-Base interactions energy: -32.080
where: short stacking energy: -28.471
Base-Backbone interact. energy: 2.813
local terms energy: -41.742356
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -7.883
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: -4.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -71.456735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.456735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.456735 (E_RNA)
where:
Base-Base interactions energy: -24.418
where: short stacking energy: -24.418
Base-Backbone interact. energy: -0.218
local terms energy: -46.820768
where:
bonds (distance) C4'-P energy: -10.759
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -6.192
tors. eta vs tors. theta energy: -5.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -55.118900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.118900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.118900 (E_RNA)
where:
Base-Base interactions energy: -20.007
where: short stacking energy: -20.007
Base-Backbone interact. energy: -0.113
local terms energy: -34.999400
where:
bonds (distance) C4'-P energy: -8.690
bonds (distance) P-C4' energy: -10.433
flat angles C4'-P-C4' energy: -8.920
flat angles P-C4'-P energy: -4.561
tors. eta vs tors. theta energy: -2.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -137.646320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.646320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.646320 (E_RNA)
where:
Base-Base interactions energy: -77.180
where: short stacking energy: -44.159
Base-Backbone interact. energy: -0.006
local terms energy: -60.459741
where:
bonds (distance) C4'-P energy: -11.393
bonds (distance) P-C4' energy: -10.958
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -14.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -133.083261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.083261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.083261 (E_RNA)
where:
Base-Base interactions energy: -80.513
where: short stacking energy: -47.775
Base-Backbone interact. energy: -0.010
local terms energy: -52.560185
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -9.664
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: -11.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -127.019591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.019591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.019591 (E_RNA)
where:
Base-Base interactions energy: -71.595
where: short stacking energy: -45.275
Base-Backbone interact. energy: -0.011
local terms energy: -55.414313
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -10.583
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -11.153
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: 7
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -92.982641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.982641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.982641 (E_RNA)
where:
Base-Base interactions energy: -43.037
where: short stacking energy: -40.150
Base-Backbone interact. energy: -0.166
local terms energy: -49.779373
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -9.808
flat angles P-C4'-P energy: -4.875
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: 5, replica: 6
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -82.626725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.626725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.626725 (E_RNA)
where:
Base-Base interactions energy: -32.975
where: short stacking energy: -32.795
Base-Backbone interact. energy: 0.111
local terms energy: -49.762676
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -6.947
tors. eta vs tors. theta energy: -6.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -75.075279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.075279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.075279 (E_RNA)
where:
Base-Base interactions energy: -28.843
where: short stacking energy: -28.843
Base-Backbone interact. energy: 0.051
local terms energy: -46.283328
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -8.786
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -4.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -73.855601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.855601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.855601 (E_RNA)
where:
Base-Base interactions energy: -23.267
where: short stacking energy: -20.578
Base-Backbone interact. energy: -0.079
local terms energy: -50.510038
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -11.810
flat angles C4'-P-C4' energy: -12.760
flat angles P-C4'-P energy: -7.530
tors. eta vs tors. theta energy: -5.602
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: 62
Temperature: 1.250000
Total energy: -67.921213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.921213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.921213 (E_RNA)
where:
Base-Base interactions energy: -26.137
where: short stacking energy: -26.137
Base-Backbone interact. energy: -0.144
local terms energy: -41.640140
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -9.261
flat angles P-C4'-P energy: -7.796
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: 9, replica: 8
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -61.043747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.043747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.043747 (E_RNA)
where:
Base-Base interactions energy: -18.927
where: short stacking energy: -18.927
Base-Backbone interact. energy: -0.180
local terms energy: -41.937110
where:
bonds (distance) C4'-P energy: -8.756
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -2.749
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -6.738
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: 10
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -61.833244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.833244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.833244 (E_RNA)
where:
Base-Base interactions energy: -26.539
where: short stacking energy: -26.539
Base-Backbone interact. energy: -0.185
local terms energy: -35.109704
where:
bonds (distance) C4'-P energy: -6.218
bonds (distance) P-C4' energy: -10.809
flat angles C4'-P-C4' energy: -2.903
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -6.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -135.298276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.298276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.298276 (E_RNA)
where:
Base-Base interactions energy: -78.174
where: short stacking energy: -50.518
Base-Backbone interact. energy: -0.007
local terms energy: -57.117526
where:
bonds (distance) C4'-P energy: -9.480
bonds (distance) P-C4' energy: -11.307
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -8.992
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: 2, replica: 4
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -130.835915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.835915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.835915 (E_RNA)
where:
Base-Base interactions energy: -73.906
where: short stacking energy: -46.730
Base-Backbone interact. energy: -0.169
local terms energy: -56.760688
where:
bonds (distance) C4'-P energy: -10.893
bonds (distance) P-C4' energy: -11.234
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -8.384
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: 3, replica: 5
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -120.763098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.763098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.763098 (E_RNA)
where:
Base-Base interactions energy: -71.302
where: short stacking energy: -40.780
Base-Backbone interact. energy: -0.216
local terms energy: -49.245425
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -9.587
flat angles P-C4'-P energy: -5.884
tors. eta vs tors. theta energy: -10.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -100.802365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.802365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.802365 (E_RNA)
where:
Base-Base interactions energy: -43.912
where: short stacking energy: -38.818
Base-Backbone interact. energy: -0.161
local terms energy: -56.729132
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -10.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -76.642804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.642804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.642804 (E_RNA)
where:
Base-Base interactions energy: -35.884
where: short stacking energy: -31.713
Base-Backbone interact. energy: -0.607
local terms energy: -40.151679
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -3.719
flat angles P-C4'-P energy: -5.515
tors. eta vs tors. theta energy: -6.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -80.821586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.821586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.821586 (E_RNA)
where:
Base-Base interactions energy: -34.287
where: short stacking energy: -34.287
Base-Backbone interact. energy: -0.008
local terms energy: -46.525904
where:
bonds (distance) C4'-P energy: -10.631
bonds (distance) P-C4' energy: -10.576
flat angles C4'-P-C4' energy: -11.629
flat angles P-C4'-P energy: -2.060
tors. eta vs tors. theta energy: -11.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -75.740329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.740329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.740329 (E_RNA)
where:
Base-Base interactions energy: -35.972
where: short stacking energy: -33.316
Base-Backbone interact. energy: -0.079
local terms energy: -39.688590
where:
bonds (distance) C4'-P energy: -6.230
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -9.048
flat angles P-C4'-P energy: -5.680
tors. eta vs tors. theta energy: -4.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -69.240276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.240276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.240276 (E_RNA)
where:
Base-Base interactions energy: -24.360
where: short stacking energy: -24.460
Base-Backbone interact. energy: -0.013
local terms energy: -44.867598
where:
bonds (distance) C4'-P energy: -10.901
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -9.907
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: -4.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -69.882544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.882544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.882544 (E_RNA)
where:
Base-Base interactions energy: -36.647
where: short stacking energy: -23.681
Base-Backbone interact. energy: 0.443
local terms energy: -33.678268
where:
bonds (distance) C4'-P energy: -9.013
bonds (distance) P-C4' energy: -9.947
flat angles C4'-P-C4' energy: -8.867
flat angles P-C4'-P energy: -6.004
tors. eta vs tors. theta energy: 0.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -64.107859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.107859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.107859 (E_RNA)
where:
Base-Base interactions energy: -24.626
where: short stacking energy: -24.926
Base-Backbone interact. energy: -0.121
local terms energy: -39.360934
where:
bonds (distance) C4'-P energy: -8.743
bonds (distance) P-C4' energy: -11.498
flat angles C4'-P-C4' energy: -8.980
flat angles P-C4'-P energy: -5.109
tors. eta vs tors. theta energy: -5.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -133.942078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.942078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.942078 (E_RNA)
where:
Base-Base interactions energy: -76.527
where: short stacking energy: -48.298
Base-Backbone interact. energy: -0.026
local terms energy: -57.389548
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -13.211
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: 64
Temperature: 0.950000
Total energy: -124.466684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.466684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.466684 (E_RNA)
where:
Base-Base interactions energy: -74.122
where: short stacking energy: -48.818
Base-Backbone interact. energy: -0.007
local terms energy: -50.337937
where:
bonds (distance) C4'-P energy: -8.548
bonds (distance) P-C4' energy: -9.599
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -6.630
tors. eta vs tors. theta energy: -13.958
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: 3, replica: 5
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -126.095763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.095763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.095763 (E_RNA)
where:
Base-Base interactions energy: -69.976
where: short stacking energy: -40.125
Base-Backbone interact. energy: -0.098
local terms energy: -56.021524
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -6.300
tors. eta vs tors. theta energy: -10.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -83.843164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.843164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.843164 (E_RNA)
where:
Base-Base interactions energy: -37.532
where: short stacking energy: -37.532
Base-Backbone interact. energy: -0.100
local terms energy: -46.211619
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -7.608
flat angles P-C4'-P energy: -4.953
tors. eta vs tors. theta energy: -9.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -73.325869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.325869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.325869 (E_RNA)
where:
Base-Base interactions energy: -34.637
where: short stacking energy: -30.912
Base-Backbone interact. energy: -0.204
local terms energy: -38.485364
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -12.051
flat angles C4'-P-C4' energy: -8.020
flat angles P-C4'-P energy: -3.198
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: 6, replica: 6
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -82.557155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.557155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.557155 (E_RNA)
where:
Base-Base interactions energy: -41.215
where: short stacking energy: -41.215
Base-Backbone interact. energy: -0.214
local terms energy: -41.127533
where:
bonds (distance) C4'-P energy: -6.649
bonds (distance) P-C4' energy: -8.826
flat angles C4'-P-C4' energy: -8.628
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -9.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -68.286205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.286205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.286205 (E_RNA)
where:
Base-Base interactions energy: -27.514
where: short stacking energy: -16.015
Base-Backbone interact. energy: -0.167
local terms energy: -40.605770
where:
bonds (distance) C4'-P energy: -8.780
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -9.259
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -1.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -71.076788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.076788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.076788 (E_RNA)
where:
Base-Base interactions energy: -30.101
where: short stacking energy: -17.097
Base-Backbone interact. energy: -0.394
local terms energy: -40.581825
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -4.972
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -3.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -65.254780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.254780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.254780 (E_RNA)
where:
Base-Base interactions energy: -26.467
where: short stacking energy: -26.467
Base-Backbone interact. energy: -0.012
local terms energy: -38.775389
where:
bonds (distance) C4'-P energy: -9.349
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -5.406
flat angles P-C4'-P energy: -6.304
tors. eta vs tors. theta energy: -4.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -63.340063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.340063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.340063 (E_RNA)
where:
Base-Base interactions energy: -25.113
where: short stacking energy: -25.113
Base-Backbone interact. energy: -0.756
local terms energy: -37.471132
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -9.523
flat angles C4'-P-C4' energy: -10.067
flat angles P-C4'-P energy: -3.248
tors. eta vs tors. theta energy: -2.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -144.215176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.215176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.215176 (E_RNA)
where:
Base-Base interactions energy: -78.728
where: short stacking energy: -45.904
Base-Backbone interact. energy: -0.047
local terms energy: -65.439959
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -14.926
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -14.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -132.537244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.537244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.537244 (E_RNA)
where:
Base-Base interactions energy: -77.160
where: short stacking energy: -45.621
Base-Backbone interact. energy: -0.014
local terms energy: -55.362475
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -9.851
flat angles C4'-P-C4' energy: -11.156
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -13.204
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: 65
Temperature: 1.000000
Total energy: -119.312708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.312708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.312708 (E_RNA)
where:
Base-Base interactions energy: -67.772
where: short stacking energy: -42.383
Base-Backbone interact. energy: 0.467
local terms energy: -52.008070
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -10.024
flat angles C4'-P-C4' energy: -11.308
flat angles P-C4'-P energy: -4.739
tors. eta vs tors. theta energy: -13.608
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: 1
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -96.527520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.527520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.527520 (E_RNA)
where:
Base-Base interactions energy: -45.405
where: short stacking energy: -41.638
Base-Backbone interact. energy: -0.062
local terms energy: -51.060332
where:
bonds (distance) C4'-P energy: -10.628
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -6.351
tors. eta vs tors. theta energy: -8.860
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: 7
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -79.748921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.748921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.748921 (E_RNA)
where:
Base-Base interactions energy: -33.219
where: short stacking energy: -33.219
Base-Backbone interact. energy: -0.127
local terms energy: -46.403466
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -8.954
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -2.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -83.899516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.899516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.899516 (E_RNA)
where:
Base-Base interactions energy: -40.469
where: short stacking energy: -27.582
Base-Backbone interact. energy: -0.341
local terms energy: -43.089043
where:
bonds (distance) C4'-P energy: -10.939
bonds (distance) P-C4' energy: -10.538
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -5.888
tors. eta vs tors. theta energy: -3.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -96.580072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.580072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.580072 (E_RNA)
where:
Base-Base interactions energy: -47.631
where: short stacking energy: -37.537
Base-Backbone interact. energy: -0.102
local terms energy: -48.846723
where:
bonds (distance) C4'-P energy: -9.410
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -11.309
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -7.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -69.962269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.962269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.962269 (E_RNA)
where:
Base-Base interactions energy: -27.057
where: short stacking energy: -27.057
Base-Backbone interact. energy: 0.120
local terms energy: -43.026126
where:
bonds (distance) C4'-P energy: -10.241
bonds (distance) P-C4' energy: -7.362
flat angles C4'-P-C4' energy: -10.170
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -6.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -65.260639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.260639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.260639 (E_RNA)
where:
Base-Base interactions energy: -23.687
where: short stacking energy: -17.896
Base-Backbone interact. energy: -0.154
local terms energy: -41.419101
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -9.334
flat angles C4'-P-C4' energy: -10.165
flat angles P-C4'-P energy: -5.846
tors. eta vs tors. theta energy: -3.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -66.200157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.200157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.200157 (E_RNA)
where:
Base-Base interactions energy: -28.532
where: short stacking energy: -18.235
Base-Backbone interact. energy: -0.051
local terms energy: -37.616557
where:
bonds (distance) C4'-P energy: -6.432
bonds (distance) P-C4' energy: -10.991
flat angles C4'-P-C4' energy: -9.495
flat angles P-C4'-P energy: -5.179
tors. eta vs tors. theta energy: -5.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -135.502855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.502855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.502855 (E_RNA)
where:
Base-Base interactions energy: -76.876
where: short stacking energy: -43.579
Base-Backbone interact. energy: -0.132
local terms energy: -58.495470
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -6.589
tors. eta vs tors. theta energy: -13.578
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: 5
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -129.727031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.727031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.727031 (E_RNA)
where:
Base-Base interactions energy: -76.451
where: short stacking energy: -46.573
Base-Backbone interact. energy: -0.032
local terms energy: -53.244324
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -10.539
flat angles P-C4'-P energy: -6.322
tors. eta vs tors. theta energy: -12.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -128.937206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.937206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.937206 (E_RNA)
where:
Base-Base interactions energy: -78.574
where: short stacking energy: -43.169
Base-Backbone interact. energy: 0.469
local terms energy: -50.831458
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -6.229
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -11.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -81.823878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.823878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.823878 (E_RNA)
where:
Base-Base interactions energy: -38.693
where: short stacking energy: -31.708
Base-Backbone interact. energy: -0.009
local terms energy: -43.121461
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -9.095
flat angles C4'-P-C4' energy: -9.220
flat angles P-C4'-P energy: -4.118
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: 5, replica: 6
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -87.749882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.749882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.749882 (E_RNA)
where:
Base-Base interactions energy: -38.428
where: short stacking energy: -38.428
Base-Backbone interact. energy: 0.746
local terms energy: -50.068239
where:
bonds (distance) C4'-P energy: -9.534
bonds (distance) P-C4' energy: -10.940
flat angles C4'-P-C4' energy: -10.798
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -10.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -83.233637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.233637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.233637 (E_RNA)
where:
Base-Base interactions energy: -39.149
where: short stacking energy: -39.149
Base-Backbone interact. energy: -0.067
local terms energy: -44.017364
where:
bonds (distance) C4'-P energy: -6.942
bonds (distance) P-C4' energy: -11.686
flat angles C4'-P-C4' energy: -8.752
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -6.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -69.209771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.209771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.209771 (E_RNA)
where:
Base-Base interactions energy: -25.881
where: short stacking energy: -25.881
Base-Backbone interact. energy: -0.097
local terms energy: -43.231772
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -9.675
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -5.675
tors. eta vs tors. theta energy: -5.094
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: 3
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -66.363275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.363275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.363275 (E_RNA)
where:
Base-Base interactions energy: -24.538
where: short stacking energy: -24.538
Base-Backbone interact. energy: -0.070
local terms energy: -41.754551
where:
bonds (distance) C4'-P energy: -8.720
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -10.133
flat angles P-C4'-P energy: -3.431
tors. eta vs tors. theta energy: -6.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -68.115141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.115141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.115141 (E_RNA)
where:
Base-Base interactions energy: -21.697
where: short stacking energy: -16.744
Base-Backbone interact. energy: -0.157
local terms energy: -46.261080
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -10.940
flat angles P-C4'-P energy: -5.647
tors. eta vs tors. theta energy: -3.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -65.761649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.761649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.761649 (E_RNA)
where:
Base-Base interactions energy: -28.618
where: short stacking energy: -28.618
Base-Backbone interact. energy: -0.096
local terms energy: -37.047729
where:
bonds (distance) C4'-P energy: -6.362
bonds (distance) P-C4' energy: -8.682
flat angles C4'-P-C4' energy: -8.155
flat angles P-C4'-P energy: -6.774
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: 1, replica: 4
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -143.588490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.588490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.588490 (E_RNA)
where:
Base-Base interactions energy: -83.284
where: short stacking energy: -52.260
Base-Backbone interact. energy: -0.099
local terms energy: -60.205132
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -11.397
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -16.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -146.523847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.523847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.523847 (E_RNA)
where:
Base-Base interactions energy: -89.014
where: short stacking energy: -54.731
Base-Backbone interact. energy: -0.004
local terms energy: -57.505548
where:
bonds (distance) C4'-P energy: -9.821
bonds (distance) P-C4' energy: -10.384
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -15.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -130.172073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.172073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.172073 (E_RNA)
where:
Base-Base interactions energy: -71.922
where: short stacking energy: -45.718
Base-Backbone interact. energy: 0.066
local terms energy: -58.315496
where:
bonds (distance) C4'-P energy: -11.004
bonds (distance) P-C4' energy: -10.940
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -13.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -90.288668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.288668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.288668 (E_RNA)
where:
Base-Base interactions energy: -38.965
where: short stacking energy: -38.965
Base-Backbone interact. energy: -0.099
local terms energy: -51.225036
where:
bonds (distance) C4'-P energy: -10.425
bonds (distance) P-C4' energy: -10.492
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -7.701
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: 5, replica: 6
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -76.780945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.780945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.780945 (E_RNA)
where:
Base-Base interactions energy: -35.835
where: short stacking energy: -25.593
Base-Backbone interact. energy: -0.169
local terms energy: -40.777698
where:
bonds (distance) C4'-P energy: -10.527
bonds (distance) P-C4' energy: -6.541
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -5.013
tors. eta vs tors. theta energy: -5.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -73.828484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.828484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.828484 (E_RNA)
where:
Base-Base interactions energy: -24.698
where: short stacking energy: -24.698
Base-Backbone interact. energy: -0.017
local terms energy: -49.113080
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -3.945
tors. eta vs tors. theta energy: -6.091
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: 7
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -77.669975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.669975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.669975 (E_RNA)
where:
Base-Base interactions energy: -32.827
where: short stacking energy: -32.827
Base-Backbone interact. energy: -0.000
local terms energy: -44.842734
where:
bonds (distance) C4'-P energy: -7.071
bonds (distance) P-C4' energy: -7.994
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -7.535
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: 8, replica: 2
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -72.183139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.183139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.183139 (E_RNA)
where:
Base-Base interactions energy: -27.642
where: short stacking energy: -27.642
Base-Backbone interact. energy: -0.012
local terms energy: -44.529187
where:
bonds (distance) C4'-P energy: -9.890
bonds (distance) P-C4' energy: -10.356
flat angles C4'-P-C4' energy: -10.592
flat angles P-C4'-P energy: -4.117
tors. eta vs tors. theta energy: -9.575
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: 3
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -63.047604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.047604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.047604 (E_RNA)
where:
Base-Base interactions energy: -21.846
where: short stacking energy: -21.846
Base-Backbone interact. energy: -0.004
local terms energy: -41.198015
where:
bonds (distance) C4'-P energy: -11.741
bonds (distance) P-C4' energy: -8.840
flat angles C4'-P-C4' energy: -10.653
flat angles P-C4'-P energy: -5.830
tors. eta vs tors. theta energy: -4.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -63.122716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.122716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.122716 (E_RNA)
where:
Base-Base interactions energy: -23.860
where: short stacking energy: -22.354
Base-Backbone interact. energy: -0.044
local terms energy: -39.218911
where:
bonds (distance) C4'-P energy: -8.433
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -10.710
flat angles P-C4'-P energy: -5.164
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: 4
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -145.542844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.542844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.542844 (E_RNA)
where:
Base-Base interactions energy: -92.653
where: short stacking energy: -53.887
Base-Backbone interact. energy: -0.014
local terms energy: -52.876006
where:
bonds (distance) C4'-P energy: -7.946
bonds (distance) P-C4' energy: -9.691
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -14.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -126.918033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.918033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.918033 (E_RNA)
where:
Base-Base interactions energy: -83.659
where: short stacking energy: -43.706
Base-Backbone interact. energy: -0.009
local terms energy: -43.249867
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -8.969
flat angles P-C4'-P energy: -5.517
tors. eta vs tors. theta energy: -5.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -126.506253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.506253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.506253 (E_RNA)
where:
Base-Base interactions energy: -73.119
where: short stacking energy: -44.046
Base-Backbone interact. energy: -0.239
local terms energy: -53.148169
where:
bonds (distance) C4'-P energy: -7.075
bonds (distance) P-C4' energy: -11.007
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -12.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -89.794254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.794254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.794254 (E_RNA)
where:
Base-Base interactions energy: -39.129
where: short stacking energy: -39.017
Base-Backbone interact. energy: -0.009
local terms energy: -50.656262
where:
bonds (distance) C4'-P energy: -9.614
bonds (distance) P-C4' energy: -12.229
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -6.805
tors. eta vs tors. theta energy: -9.365
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: 6
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -91.787061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.787061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.787061 (E_RNA)
where:
Base-Base interactions energy: -41.074
where: short stacking energy: -41.074
Base-Backbone interact. energy: -0.024
local terms energy: -50.688772
where:
bonds (distance) C4'-P energy: -7.424
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: -8.711
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: 6, replica: 10
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -88.081916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.081916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.081916 (E_RNA)
where:
Base-Base interactions energy: -39.320
where: short stacking energy: -39.320
Base-Backbone interact. energy: -0.002
local terms energy: -48.759954
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -10.293
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -6.662
tors. eta vs tors. theta energy: -8.496
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: 7, replica: 2
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -78.316237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.316237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.316237 (E_RNA)
where:
Base-Base interactions energy: -30.715
where: short stacking energy: -30.715
Base-Backbone interact. energy: -0.115
local terms energy: -47.485589
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -11.165
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -6.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -77.181799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.181799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.181799 (E_RNA)
where:
Base-Base interactions energy: -36.859
where: short stacking energy: -23.933
Base-Backbone interact. energy: 1.157
local terms energy: -41.479552
where:
bonds (distance) C4'-P energy: -9.911
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -9.701
flat angles P-C4'-P energy: -3.821
tors. eta vs tors. theta energy: -3.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -66.560560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.560560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.560560 (E_RNA)
where:
Base-Base interactions energy: -24.511
where: short stacking energy: -24.511
Base-Backbone interact. energy: -0.143
local terms energy: -41.906366
where:
bonds (distance) C4'-P energy: -9.691
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -5.706
tors. eta vs tors. theta energy: -1.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -62.175430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.175430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.175430 (E_RNA)
where:
Base-Base interactions energy: -20.459
where: short stacking energy: -19.612
Base-Backbone interact. energy: -0.129
local terms energy: -41.586827
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -6.326
flat angles P-C4'-P energy: -5.299
tors. eta vs tors. theta energy: -5.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -142.242014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.242014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.242014 (E_RNA)
where:
Base-Base interactions energy: -90.021
where: short stacking energy: -49.858
Base-Backbone interact. energy: -0.004
local terms energy: -52.217050
where:
bonds (distance) C4'-P energy: -11.352
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -9.239
flat angles P-C4'-P energy: -4.328
tors. eta vs tors. theta energy: -14.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -120.493165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.493165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.493165 (E_RNA)
where:
Base-Base interactions energy: -66.854
where: short stacking energy: -38.964
Base-Backbone interact. energy: -0.010
local terms energy: -53.629646
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -11.313
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -6.802
tors. eta vs tors. theta energy: -11.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -136.665416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.665416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.665416 (E_RNA)
where:
Base-Base interactions energy: -84.040
where: short stacking energy: -44.773
Base-Backbone interact. energy: -0.247
local terms energy: -52.377780
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -11.685
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -4.776
tors. eta vs tors. theta energy: -12.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -87.472924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.472924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.472924 (E_RNA)
where:
Base-Base interactions energy: -39.618
where: short stacking energy: -39.618
Base-Backbone interact. energy: 0.122
local terms energy: -47.977137
where:
bonds (distance) C4'-P energy: -8.645
bonds (distance) P-C4' energy: -10.862
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: -8.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -87.056485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.056485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.056485 (E_RNA)
where:
Base-Base interactions energy: -36.918
where: short stacking energy: -36.918
Base-Backbone interact. energy: -0.108
local terms energy: -50.030435
where:
bonds (distance) C4'-P energy: -10.391
bonds (distance) P-C4' energy: -10.107
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -8.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -75.088212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.088212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.088212 (E_RNA)
where:
Base-Base interactions energy: -33.212
where: short stacking energy: -33.212
Base-Backbone interact. energy: -0.010
local terms energy: -41.866695
where:
bonds (distance) C4'-P energy: -7.489
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -4.492
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: 7, replica: 2
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -76.567590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.567590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.567590 (E_RNA)
where:
Base-Base interactions energy: -25.184
where: short stacking energy: -25.184
Base-Backbone interact. energy: -0.344
local terms energy: -51.039956
where:
bonds (distance) C4'-P energy: -11.008
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -6.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -73.229037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.229037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.229037 (E_RNA)
where:
Base-Base interactions energy: -27.847
where: short stacking energy: -27.847
Base-Backbone interact. energy: -0.030
local terms energy: -45.352060
where:
bonds (distance) C4'-P energy: -10.607
bonds (distance) P-C4' energy: -10.332
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -4.276
tors. eta vs tors. theta energy: -7.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -76.047592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.047592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.047592 (E_RNA)
where:
Base-Base interactions energy: -35.712
where: short stacking energy: -23.446
Base-Backbone interact. energy: -0.272
local terms energy: -40.064328
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -11.047
flat angles C4'-P-C4' energy: -10.694
flat angles P-C4'-P energy: -4.561
tors. eta vs tors. theta energy: -2.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -56.680103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.680103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.680103 (E_RNA)
where:
Base-Base interactions energy: -23.985
where: short stacking energy: -23.985
Base-Backbone interact. energy: -0.164
local terms energy: -32.531174
where:
bonds (distance) C4'-P energy: -9.461
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -1.420
tors. eta vs tors. theta energy: 1.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -152.826590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.826590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.826590 (E_RNA)
where:
Base-Base interactions energy: -92.189
where: short stacking energy: -59.753
Base-Backbone interact. energy: -0.046
local terms energy: -60.591385
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -10.806
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -14.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -121.021606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.021606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.021606 (E_RNA)
where:
Base-Base interactions energy: -65.575
where: short stacking energy: -34.061
Base-Backbone interact. energy: -0.002
local terms energy: -55.444463
where:
bonds (distance) C4'-P energy: -11.612
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -11.261
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -9.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -128.868426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.868426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.868426 (E_RNA)
where:
Base-Base interactions energy: -74.836
where: short stacking energy: -44.824
Base-Backbone interact. energy: -0.194
local terms energy: -53.838754
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -11.163
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: 6
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -89.009820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.009820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.009820 (E_RNA)
where:
Base-Base interactions energy: -43.774
where: short stacking energy: -29.602
Base-Backbone interact. energy: 0.169
local terms energy: -45.405413
where:
bonds (distance) C4'-P energy: -11.534
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -3.582
tors. eta vs tors. theta energy: -5.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -79.703028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.703028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.703028 (E_RNA)
where:
Base-Base interactions energy: -31.371
where: short stacking energy: -31.371
Base-Backbone interact. energy: -0.093
local terms energy: -48.238871
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -11.811
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -5.383
tors. eta vs tors. theta energy: -6.076
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: -75.110933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.110933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.110933 (E_RNA)
where:
Base-Base interactions energy: -38.171
where: short stacking energy: -32.844
Base-Backbone interact. energy: -0.100
local terms energy: -36.840454
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -8.115
flat angles P-C4'-P energy: -2.620
tors. eta vs tors. theta energy: -3.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -77.115373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.115373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.115373 (E_RNA)
where:
Base-Base interactions energy: -38.523
where: short stacking energy: -17.575
Base-Backbone interact. energy: -0.169
local terms energy: -38.422940
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -7.526
flat angles P-C4'-P energy: -1.177
tors. eta vs tors. theta energy: -2.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -70.255074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.255074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.255074 (E_RNA)
where:
Base-Base interactions energy: -29.583
where: short stacking energy: -26.729
Base-Backbone interact. energy: -0.133
local terms energy: -40.538203
where:
bonds (distance) C4'-P energy: -9.659
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -11.135
flat angles P-C4'-P energy: -1.200
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: 3
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -66.335821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.335821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.335821 (E_RNA)
where:
Base-Base interactions energy: -28.702
where: short stacking energy: -28.702
Base-Backbone interact. energy: -0.004
local terms energy: -37.629502
where:
bonds (distance) C4'-P energy: -3.535
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -7.568
flat angles P-C4'-P energy: -5.487
tors. eta vs tors. theta energy: -7.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -66.844992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.844992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.844992 (E_RNA)
where:
Base-Base interactions energy: -28.083
where: short stacking energy: -28.083
Base-Backbone interact. energy: -0.047
local terms energy: -38.714965
where:
bonds (distance) C4'-P energy: -9.105
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -8.949
flat angles P-C4'-P energy: -4.139
tors. eta vs tors. theta energy: -5.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -135.454886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.454886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.454886 (E_RNA)
where:
Base-Base interactions energy: -78.771
where: short stacking energy: -47.421
Base-Backbone interact. energy: -0.015
local terms energy: -56.668844
where:
bonds (distance) C4'-P energy: -11.025
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -11.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -134.991967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.991967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.991967 (E_RNA)
where:
Base-Base interactions energy: -82.777
where: short stacking energy: -48.159
Base-Backbone interact. energy: -0.070
local terms energy: -52.144819
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -7.973
flat angles C4'-P-C4' energy: -11.566
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -13.191
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: 9
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -127.425801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.425801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.425801 (E_RNA)
where:
Base-Base interactions energy: -72.084
where: short stacking energy: -39.853
Base-Backbone interact. energy: -0.003
local terms energy: -55.338647
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -11.223
flat angles P-C4'-P energy: -5.616
tors. eta vs tors. theta energy: -12.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -79.472119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.472119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.472119 (E_RNA)
where:
Base-Base interactions energy: -30.311
where: short stacking energy: -30.311
Base-Backbone interact. energy: -0.273
local terms energy: -48.888318
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -3.943
tors. eta vs tors. theta energy: -5.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -81.980834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.980834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.980834 (E_RNA)
where:
Base-Base interactions energy: -41.213
where: short stacking energy: -37.716
Base-Backbone interact. energy: 2.581
local terms energy: -43.348964
where:
bonds (distance) C4'-P energy: -8.901
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -10.027
flat angles P-C4'-P energy: -4.676
tors. eta vs tors. theta energy: -7.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -82.664541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.664541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.664541 (E_RNA)
where:
Base-Base interactions energy: -34.485
where: short stacking energy: -35.542
Base-Backbone interact. energy: -3.420
local terms energy: -44.759665
where:
bonds (distance) C4'-P energy: -7.870
bonds (distance) P-C4' energy: -11.408
flat angles C4'-P-C4' energy: -10.343
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -7.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -75.003966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.003966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.003966 (E_RNA)
where:
Base-Base interactions energy: -33.353
where: short stacking energy: -24.073
Base-Backbone interact. energy: 1.615
local terms energy: -43.265391
where:
bonds (distance) C4'-P energy: -8.752
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -6.287
tors. eta vs tors. theta energy: -3.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -64.987896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.987896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.987896 (E_RNA)
where:
Base-Base interactions energy: -23.862
where: short stacking energy: -23.862
Base-Backbone interact. energy: -0.120
local terms energy: -41.006840
where:
bonds (distance) C4'-P energy: -9.655
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -6.615
flat angles P-C4'-P energy: -7.206
tors. eta vs tors. theta energy: -6.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -69.353965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.353965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.353965 (E_RNA)
where:
Base-Base interactions energy: -28.864
where: short stacking energy: -28.864
Base-Backbone interact. energy: -0.106
local terms energy: -40.383930
where:
bonds (distance) C4'-P energy: -10.309
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -6.866
flat angles P-C4'-P energy: -5.949
tors. eta vs tors. theta energy: -4.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -67.823926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.823926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.823926 (E_RNA)
where:
Base-Base interactions energy: -21.950
where: short stacking energy: -20.906
Base-Backbone interact. energy: -0.045
local terms energy: -45.828878
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -11.158
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: -2.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -149.239777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.239777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.239777 (E_RNA)
where:
Base-Base interactions energy: -91.891
where: short stacking energy: -54.548
Base-Backbone interact. energy: -0.095
local terms energy: -57.253833
where:
bonds (distance) C4'-P energy: -9.964
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -7.336
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -15.672
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: 5
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -131.721245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.721245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.721245 (E_RNA)
where:
Base-Base interactions energy: -74.028
where: short stacking energy: -44.448
Base-Backbone interact. energy: -0.005
local terms energy: -57.688376
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -10.650
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: 3, replica: 9
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -131.201172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.201172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.201172 (E_RNA)
where:
Base-Base interactions energy: -76.095
where: short stacking energy: -47.340
Base-Backbone interact. energy: -0.002
local terms energy: -55.104856
where:
bonds (distance) C4'-P energy: -9.498
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -4.717
tors. eta vs tors. theta energy: -14.739
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: 4, replica: 10
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -91.067532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.067532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.067532 (E_RNA)
where:
Base-Base interactions energy: -41.105
where: short stacking energy: -41.105
Base-Backbone interact. energy: -0.009
local terms energy: -49.953257
where:
bonds (distance) C4'-P energy: -11.906
bonds (distance) P-C4' energy: -10.110
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -7.173
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: 5, replica: 8
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -89.656537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.656537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.656537 (E_RNA)
where:
Base-Base interactions energy: -35.783
where: short stacking energy: -36.383
Base-Backbone interact. energy: -0.003
local terms energy: -53.870873
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -11.665
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -8.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -76.416277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.416277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.416277 (E_RNA)
where:
Base-Base interactions energy: -33.846
where: short stacking energy: -33.846
Base-Backbone interact. energy: -0.130
local terms energy: -42.439904
where:
bonds (distance) C4'-P energy: -9.775
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -6.287
flat angles P-C4'-P energy: -8.586
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: 7, replica: 3
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -66.222490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.222490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.222490 (E_RNA)
where:
Base-Base interactions energy: -20.390
where: short stacking energy: -20.390
Base-Backbone interact. energy: -1.466
local terms energy: -44.366876
where:
bonds (distance) C4'-P energy: -9.063
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -8.593
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -3.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -67.623008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.623008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.623008 (E_RNA)
where:
Base-Base interactions energy: -27.095
where: short stacking energy: -27.095
Base-Backbone interact. energy: -0.032
local terms energy: -40.496370
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -9.813
flat angles C4'-P-C4' energy: -10.225
flat angles P-C4'-P energy: -4.689
tors. eta vs tors. theta energy: -4.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -59.352130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.352130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.352130 (E_RNA)
where:
Base-Base interactions energy: -20.822
where: short stacking energy: -17.124
Base-Backbone interact. energy: -0.306
local terms energy: -38.224057
where:
bonds (distance) C4'-P energy: -9.613
bonds (distance) P-C4' energy: -9.200
flat angles C4'-P-C4' energy: -7.491
flat angles P-C4'-P energy: -8.082
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: 10, replica: 2
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -62.524518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.524518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.524518 (E_RNA)
where:
Base-Base interactions energy: -24.180
where: short stacking energy: -24.980
Base-Backbone interact. energy: -0.041
local terms energy: -38.303656
where:
bonds (distance) C4'-P energy: -11.397
bonds (distance) P-C4' energy: -9.992
flat angles C4'-P-C4' energy: -9.873
flat angles P-C4'-P energy: -6.532
tors. eta vs tors. theta energy: -0.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -136.640105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.640105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.640105 (E_RNA)
where:
Base-Base interactions energy: -82.236
where: short stacking energy: -48.600
Base-Backbone interact. energy: -0.015
local terms energy: -54.388784
where:
bonds (distance) C4'-P energy: -10.043
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -7.348
tors. eta vs tors. theta energy: -12.376
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: 9
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -140.398720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.398720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.398720 (E_RNA)
where:
Base-Base interactions energy: -79.851
where: short stacking energy: -52.523
Base-Backbone interact. energy: 1.708
local terms energy: -62.256060
where:
bonds (distance) C4'-P energy: -10.777
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -9.100
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: 3, replica: 5
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -133.137818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.137818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.137818 (E_RNA)
where:
Base-Base interactions energy: -80.291
where: short stacking energy: -41.554
Base-Backbone interact. energy: -0.023
local terms energy: -52.824063
where:
bonds (distance) C4'-P energy: -10.806
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -6.087
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: 4, replica: 8
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -122.495692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.495692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.495692 (E_RNA)
where:
Base-Base interactions energy: -78.974
where: short stacking energy: -45.640
Base-Backbone interact. energy: -0.116
local terms energy: -43.405764
where:
bonds (distance) C4'-P energy: -3.491
bonds (distance) P-C4' energy: -10.471
flat angles C4'-P-C4' energy: -8.489
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -9.865
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: 73
Temperature: 1.100000
Total energy: -91.824976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.824976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.824976 (E_RNA)
where:
Base-Base interactions energy: -42.477
where: short stacking energy: -42.477
Base-Backbone interact. energy: -0.017
local terms energy: -49.331073
where:
bonds (distance) C4'-P energy: -11.224
bonds (distance) P-C4' energy: -7.988
flat angles C4'-P-C4' energy: -9.235
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -11.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -90.597514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.597514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.597514 (E_RNA)
where:
Base-Base interactions energy: -35.780
where: short stacking energy: -35.756
Base-Backbone interact. energy: -0.069
local terms energy: -54.748522
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -7.143
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: 3
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -80.176820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.176820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.176820 (E_RNA)
where:
Base-Base interactions energy: -29.419
where: short stacking energy: -29.419
Base-Backbone interact. energy: -0.096
local terms energy: -50.661198
where:
bonds (distance) C4'-P energy: -9.315
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -6.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -61.394618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.394618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.394618 (E_RNA)
where:
Base-Base interactions energy: -20.504
where: short stacking energy: -15.380
Base-Backbone interact. energy: -0.219
local terms energy: -40.672026
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -12.176
flat angles C4'-P-C4' energy: -12.039
flat angles P-C4'-P energy: -2.689
tors. eta vs tors. theta energy: -1.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -62.096157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.096157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.096157 (E_RNA)
where:
Base-Base interactions energy: -22.518
where: short stacking energy: -22.518
Base-Backbone interact. energy: -0.000
local terms energy: -39.577525
where:
bonds (distance) C4'-P energy: -6.501
bonds (distance) P-C4' energy: -10.650
flat angles C4'-P-C4' energy: -9.960
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -4.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -62.804452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.804452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.804452 (E_RNA)
where:
Base-Base interactions energy: -16.684
where: short stacking energy: -16.684
Base-Backbone interact. energy: -0.136
local terms energy: -45.984296
where:
bonds (distance) C4'-P energy: -6.427
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -11.019
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -4.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -148.213708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.213708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.213708 (E_RNA)
where:
Base-Base interactions energy: -89.990
where: short stacking energy: -51.321
Base-Backbone interact. energy: -0.000
local terms energy: -58.223679
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: -15.974
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: 74
Temperature: 0.950000
Total energy: -132.868081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.868081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.868081 (E_RNA)
where:
Base-Base interactions energy: -77.827
where: short stacking energy: -51.112
Base-Backbone interact. energy: -0.099
local terms energy: -54.942688
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -11.786
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -5.069
tors. eta vs tors. theta energy: -13.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -123.017685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.017685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.017685 (E_RNA)
where:
Base-Base interactions energy: -71.821
where: short stacking energy: -44.795
Base-Backbone interact. energy: -0.488
local terms energy: -50.709207
where:
bonds (distance) C4'-P energy: -10.537
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -7.908
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -10.055
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: 4, replica: 8
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -118.743417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.743417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.743417 (E_RNA)
where:
Base-Base interactions energy: -64.308
where: short stacking energy: -44.069
Base-Backbone interact. energy: -0.018
local terms energy: -54.417494
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -10.878
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -10.161
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: 6
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -87.473253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.473253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.473253 (E_RNA)
where:
Base-Base interactions energy: -40.843
where: short stacking energy: -36.457
Base-Backbone interact. energy: -0.058
local terms energy: -46.572736
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -10.603
flat angles C4'-P-C4' energy: -8.067
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -5.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -88.616283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.616283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.616283 (E_RNA)
where:
Base-Base interactions energy: -37.047
where: short stacking energy: -37.047
Base-Backbone interact. energy: -0.153
local terms energy: -51.415878
where:
bonds (distance) C4'-P energy: -7.937
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -10.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -72.369892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.369892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.369892 (E_RNA)
where:
Base-Base interactions energy: -24.609
where: short stacking energy: -24.609
Base-Backbone interact. energy: -0.002
local terms energy: -47.758530
where:
bonds (distance) C4'-P energy: -9.211
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -9.687
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -8.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -66.992726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.992726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.992726 (E_RNA)
where:
Base-Base interactions energy: -30.486
where: short stacking energy: -19.547
Base-Backbone interact. energy: 0.021
local terms energy: -36.527693
where:
bonds (distance) C4'-P energy: -9.162
bonds (distance) P-C4' energy: -10.135
flat angles C4'-P-C4' energy: -8.543
flat angles P-C4'-P energy: -6.698
tors. eta vs tors. theta energy: -1.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -60.625731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.625731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.625731 (E_RNA)
where:
Base-Base interactions energy: -20.309
where: short stacking energy: -20.309
Base-Backbone interact. energy: -0.041
local terms energy: -40.275236
where:
bonds (distance) C4'-P energy: -9.906
bonds (distance) P-C4' energy: -9.711
flat angles C4'-P-C4' energy: -9.240
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: -4.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -60.039059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.039059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.039059 (E_RNA)
where:
Base-Base interactions energy: -23.843
where: short stacking energy: -23.843
Base-Backbone interact. energy: -0.075
local terms energy: -36.120465
where:
bonds (distance) C4'-P energy: -7.986
bonds (distance) P-C4' energy: -8.736
flat angles C4'-P-C4' energy: -9.367
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: -2.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -146.495745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.495745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.495745 (E_RNA)
where:
Base-Base interactions energy: -87.072
where: short stacking energy: -49.765
Base-Backbone interact. energy: -0.003
local terms energy: -59.420655
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -10.482
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -9.761
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: 2, replica: 4
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -130.156769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.156769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.156769 (E_RNA)
where:
Base-Base interactions energy: -74.463
where: short stacking energy: -40.967
Base-Backbone interact. energy: -0.009
local terms energy: -55.685224
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -9.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -127.820802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.820802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.820802 (E_RNA)
where:
Base-Base interactions energy: -69.418
where: short stacking energy: -42.936
Base-Backbone interact. energy: -0.026
local terms energy: -58.376656
where:
bonds (distance) C4'-P energy: -10.598
bonds (distance) P-C4' energy: -12.674
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -13.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -125.355334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.355334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.355334 (E_RNA)
where:
Base-Base interactions energy: -73.147
where: short stacking energy: -43.911
Base-Backbone interact. energy: -0.003
local terms energy: -52.205522
where:
bonds (distance) C4'-P energy: -9.729
bonds (distance) P-C4' energy: -11.430
flat angles C4'-P-C4' energy: -10.722
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -9.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -83.923333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.923333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.923333 (E_RNA)
where:
Base-Base interactions energy: -38.152
where: short stacking energy: -38.152
Base-Backbone interact. energy: -0.024
local terms energy: -45.747419
where:
bonds (distance) C4'-P energy: -9.849
bonds (distance) P-C4' energy: -10.654
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -5.896
tors. eta vs tors. theta energy: -7.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -91.300992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.300992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.300992 (E_RNA)
where:
Base-Base interactions energy: -40.018
where: short stacking energy: -40.018
Base-Backbone interact. energy: -0.001
local terms energy: -51.281661
where:
bonds (distance) C4'-P energy: -9.998
bonds (distance) P-C4' energy: -9.362
flat angles C4'-P-C4' energy: -10.588
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -10.313
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: 10
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -75.694685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.694685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.694685 (E_RNA)
where:
Base-Base interactions energy: -33.851
where: short stacking energy: -33.851
Base-Backbone interact. energy: -0.062
local terms energy: -41.781566
where:
bonds (distance) C4'-P energy: -9.195
bonds (distance) P-C4' energy: -10.743
flat angles C4'-P-C4' energy: -9.487
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -5.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -81.184739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.184739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.184739 (E_RNA)
where:
Base-Base interactions energy: -31.661
where: short stacking energy: -31.661
Base-Backbone interact. energy: -0.161
local terms energy: -49.362514
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -11.038
flat angles P-C4'-P energy: -4.624
tors. eta vs tors. theta energy: -9.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -62.898674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.898674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.898674 (E_RNA)
where:
Base-Base interactions energy: -23.816
where: short stacking energy: -23.816
Base-Backbone interact. energy: -0.110
local terms energy: -38.973154
where:
bonds (distance) C4'-P energy: -11.100
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -8.698
flat angles P-C4'-P energy: -6.956
tors. eta vs tors. theta energy: -1.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -61.774349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.774349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.774349 (E_RNA)
where:
Base-Base interactions energy: -31.892
where: short stacking energy: -22.280
Base-Backbone interact. energy: -0.122
local terms energy: -29.760281
where:
bonds (distance) C4'-P energy: -9.394
bonds (distance) P-C4' energy: -5.889
flat angles C4'-P-C4' energy: -10.052
flat angles P-C4'-P energy: -0.144
tors. eta vs tors. theta energy: -4.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -134.471021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.471021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.471021 (E_RNA)
where:
Base-Base interactions energy: -74.418
where: short stacking energy: -46.821
Base-Backbone interact. energy: -0.012
local terms energy: -60.040317
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -10.225
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: 4
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -127.081791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.081791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.081791 (E_RNA)
where:
Base-Base interactions energy: -75.320
where: short stacking energy: -43.739
Base-Backbone interact. energy: -0.103
local terms energy: -51.658293
where:
bonds (distance) C4'-P energy: -7.075
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -6.129
tors. eta vs tors. theta energy: -11.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -117.231339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.231339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.231339 (E_RNA)
where:
Base-Base interactions energy: -63.445
where: short stacking energy: -40.980
Base-Backbone interact. energy: -0.249
local terms energy: -53.536789
where:
bonds (distance) C4'-P energy: -11.803
bonds (distance) P-C4' energy: -8.361
flat angles C4'-P-C4' energy: -11.871
flat angles P-C4'-P energy: -11.154
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: 4, replica: 5
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -118.202620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.202620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.202620 (E_RNA)
where:
Base-Base interactions energy: -78.055
where: short stacking energy: -42.619
Base-Backbone interact. energy: -0.015
local terms energy: -40.133139
where:
bonds (distance) C4'-P energy: -9.708
bonds (distance) P-C4' energy: -10.762
flat angles C4'-P-C4' energy: -6.733
flat angles P-C4'-P energy: -4.133
tors. eta vs tors. theta energy: -8.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -92.200437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.200437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.200437 (E_RNA)
where:
Base-Base interactions energy: -39.815
where: short stacking energy: -39.815
Base-Backbone interact. energy: -0.055
local terms energy: -52.329889
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -10.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -83.476783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.476783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.476783 (E_RNA)
where:
Base-Base interactions energy: -32.082
where: short stacking energy: -32.082
Base-Backbone interact. energy: -0.000
local terms energy: -51.394619
where:
bonds (distance) C4'-P energy: -9.170
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -10.473
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -8.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -72.905452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.905452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.905452 (E_RNA)
where:
Base-Base interactions energy: -27.462
where: short stacking energy: -27.462
Base-Backbone interact. energy: -0.165
local terms energy: -45.279066
where:
bonds (distance) C4'-P energy: -12.598
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -9.018
flat angles P-C4'-P energy: -5.330
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: 8, replica: 10
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -69.964078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.964078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.964078 (E_RNA)
where:
Base-Base interactions energy: -27.186
where: short stacking energy: -26.255
Base-Backbone interact. energy: 0.723
local terms energy: -43.500678
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -9.302
flat angles C4'-P-C4' energy: -10.040
flat angles P-C4'-P energy: -7.097
tors. eta vs tors. theta energy: -5.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -71.242047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.242047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.242047 (E_RNA)
where:
Base-Base interactions energy: -25.488
where: short stacking energy: -25.488
Base-Backbone interact. energy: -0.128
local terms energy: -45.626301
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -10.085
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -3.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -62.534730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.534730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.534730 (E_RNA)
where:
Base-Base interactions energy: -20.336
where: short stacking energy: -19.501
Base-Backbone interact. energy: -0.218
local terms energy: -41.980461
where:
bonds (distance) C4'-P energy: -5.692
bonds (distance) P-C4' energy: -12.674
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -10.677
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: 9
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -140.338831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.338831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.338831 (E_RNA)
where:
Base-Base interactions energy: -82.368
where: short stacking energy: -54.189
Base-Backbone interact. energy: -0.035
local terms energy: -57.935905
where:
bonds (distance) C4'-P energy: -9.643
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -11.408
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -15.943
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: 4
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -130.557765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.557765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.557765 (E_RNA)
where:
Base-Base interactions energy: -76.235
where: short stacking energy: -42.340
Base-Backbone interact. energy: -0.011
local terms energy: -54.312036
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: -10.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -125.029366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.029366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.029366 (E_RNA)
where:
Base-Base interactions energy: -72.780
where: short stacking energy: -41.978
Base-Backbone interact. energy: -0.085
local terms energy: -52.164493
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -10.057
flat angles P-C4'-P energy: -5.015
tors. eta vs tors. theta energy: -13.327
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: 7
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -91.879553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.879553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.879553 (E_RNA)
where:
Base-Base interactions energy: -46.012
where: short stacking energy: -35.422
Base-Backbone interact. energy: -0.000
local terms energy: -45.867210
where:
bonds (distance) C4'-P energy: -6.443
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -4.901
tors. eta vs tors. theta energy: -9.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -120.023880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.023880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.023880 (E_RNA)
where:
Base-Base interactions energy: -70.602
where: short stacking energy: -38.222
Base-Backbone interact. energy: -0.047
local terms energy: -49.374553
where:
bonds (distance) C4'-P energy: -11.514
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -7.766
flat angles P-C4'-P energy: -6.831
tors. eta vs tors. theta energy: -10.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -89.685314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.685314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.685314 (E_RNA)
where:
Base-Base interactions energy: -39.464
where: short stacking energy: -36.638
Base-Backbone interact. energy: -0.003
local terms energy: -50.218389
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -10.181
flat angles C4'-P-C4' energy: -10.638
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -9.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -83.537435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.537435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.537435 (E_RNA)
where:
Base-Base interactions energy: -30.613
where: short stacking energy: -30.613
Base-Backbone interact. energy: -0.044
local terms energy: -52.880794
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -9.169
flat angles C4'-P-C4' energy: -10.482
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -9.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -76.456502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.456502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.456502 (E_RNA)
where:
Base-Base interactions energy: -33.670
where: short stacking energy: -33.670
Base-Backbone interact. energy: -0.026
local terms energy: -42.760492
where:
bonds (distance) C4'-P energy: -10.396
bonds (distance) P-C4' energy: -5.167
flat angles C4'-P-C4' energy: -12.744
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -5.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -73.120440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.120440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.120440 (E_RNA)
where:
Base-Base interactions energy: -32.234
where: short stacking energy: -22.590
Base-Backbone interact. energy: -0.230
local terms energy: -40.657307
where:
bonds (distance) C4'-P energy: -9.613
bonds (distance) P-C4' energy: -10.814
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -6.116
tors. eta vs tors. theta energy: -0.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -57.909281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.909281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.909281 (E_RNA)
where:
Base-Base interactions energy: -27.777
where: short stacking energy: -23.073
Base-Backbone interact. energy: -0.051
local terms energy: -30.081693
where:
bonds (distance) C4'-P energy: -10.353
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -3.916
flat angles P-C4'-P energy: -4.468
tors. eta vs tors. theta energy: -0.969
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: 4
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -134.667923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.667923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.667923 (E_RNA)
where:
Base-Base interactions energy: -74.098
where: short stacking energy: -44.315
Base-Backbone interact. energy: 0.010
local terms energy: -60.580686
where:
bonds (distance) C4'-P energy: -10.938
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -10.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -133.552444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.552444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.552444 (E_RNA)
where:
Base-Base interactions energy: -75.155
where: short stacking energy: -49.964
Base-Backbone interact. energy: -0.003
local terms energy: -58.393836
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: -13.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -115.255962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.255962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.255962 (E_RNA)
where:
Base-Base interactions energy: -70.320
where: short stacking energy: -37.737
Base-Backbone interact. energy: 0.792
local terms energy: -45.727859
where:
bonds (distance) C4'-P energy: -9.580
bonds (distance) P-C4' energy: -11.074
flat angles C4'-P-C4' energy: -10.592
flat angles P-C4'-P energy: -6.425
tors. eta vs tors. theta energy: -8.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -90.645817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.645817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.645817 (E_RNA)
where:
Base-Base interactions energy: -40.612
where: short stacking energy: -40.612
Base-Backbone interact. energy: -0.160
local terms energy: -49.874485
where:
bonds (distance) C4'-P energy: -9.493
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -8.481
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -11.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -104.131967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.131967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.131967 (E_RNA)
where:
Base-Base interactions energy: -53.903
where: short stacking energy: -32.278
Base-Backbone interact. energy: -0.025
local terms energy: -50.204050
where:
bonds (distance) C4'-P energy: -10.582
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -9.922
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -7.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -86.226415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.226415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.226415 (E_RNA)
where:
Base-Base interactions energy: -40.769
where: short stacking energy: -40.769
Base-Backbone interact. energy: -0.005
local terms energy: -45.452377
where:
bonds (distance) C4'-P energy: -8.813
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -9.102
flat angles P-C4'-P energy: -3.986
tors. eta vs tors. theta energy: -8.856
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: 7, replica: 6
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -73.978313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.978313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.978313 (E_RNA)
where:
Base-Base interactions energy: -28.081
where: short stacking energy: -28.081
Base-Backbone interact. energy: -0.013
local terms energy: -45.884341
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -9.497
flat angles C4'-P-C4' energy: -10.021
flat angles P-C4'-P energy: -5.269
tors. eta vs tors. theta energy: -8.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -60.860132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.860132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.860132 (E_RNA)
where:
Base-Base interactions energy: -22.941
where: short stacking energy: -21.778
Base-Backbone interact. energy: -0.154
local terms energy: -37.765358
where:
bonds (distance) C4'-P energy: -10.387
bonds (distance) P-C4' energy: -11.815
flat angles C4'-P-C4' energy: -5.328
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -1.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -66.629497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.629497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.629497 (E_RNA)
where:
Base-Base interactions energy: -27.312
where: short stacking energy: -27.312
Base-Backbone interact. energy: -0.242
local terms energy: -39.076213
where:
bonds (distance) C4'-P energy: -7.942
bonds (distance) P-C4' energy: -11.513
flat angles C4'-P-C4' energy: -8.850
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: -4.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -60.912063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.912063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.912063 (E_RNA)
where:
Base-Base interactions energy: -21.815
where: short stacking energy: -21.805
Base-Backbone interact. energy: -0.102
local terms energy: -38.995228
where:
bonds (distance) C4'-P energy: -8.070
bonds (distance) P-C4' energy: -7.561
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -3.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -139.644363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.644363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.644363 (E_RNA)
where:
Base-Base interactions energy: -82.759
where: short stacking energy: -49.077
Base-Backbone interact. energy: -0.056
local terms energy: -56.828613
where:
bonds (distance) C4'-P energy: -10.975
bonds (distance) P-C4' energy: -11.715
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: -14.059
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: 8
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -122.961925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.961925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.961925 (E_RNA)
where:
Base-Base interactions energy: -68.328
where: short stacking energy: -43.475
Base-Backbone interact. energy: -0.004
local terms energy: -54.629245
where:
bonds (distance) C4'-P energy: -8.333
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -11.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -118.288298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.288298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.288298 (E_RNA)
where:
Base-Base interactions energy: -69.658
where: short stacking energy: -41.059
Base-Backbone interact. energy: -0.398
local terms energy: -48.232723
where:
bonds (distance) C4'-P energy: -9.683
bonds (distance) P-C4' energy: -10.356
flat angles C4'-P-C4' energy: -11.057
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -8.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -85.798378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.798378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.798378 (E_RNA)
where:
Base-Base interactions energy: -33.637
where: short stacking energy: -33.637
Base-Backbone interact. energy: -0.095
local terms energy: -52.066533
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -8.029
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -8.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -78.221738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.221738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.221738 (E_RNA)
where:
Base-Base interactions energy: -29.033
where: short stacking energy: -29.033
Base-Backbone interact. energy: -0.012
local terms energy: -49.177513
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -9.457
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -5.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -88.178935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.178935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.178935 (E_RNA)
where:
Base-Base interactions energy: -40.618
where: short stacking energy: -40.618
Base-Backbone interact. energy: -0.005
local terms energy: -47.555903
where:
bonds (distance) C4'-P energy: -7.643
bonds (distance) P-C4' energy: -6.302
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -12.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -72.034188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.034188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.034188 (E_RNA)
where:
Base-Base interactions energy: -29.926
where: short stacking energy: -25.724
Base-Backbone interact. energy: -0.028
local terms energy: -42.079474
where:
bonds (distance) C4'-P energy: -9.357
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -7.295
flat angles P-C4'-P energy: -8.003
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: 8, replica: 10
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -64.861194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.861194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.861194 (E_RNA)
where:
Base-Base interactions energy: -29.597
where: short stacking energy: -29.597
Base-Backbone interact. energy: -0.004
local terms energy: -35.260208
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -10.298
flat angles C4'-P-C4' energy: -4.611
flat angles P-C4'-P energy: -5.294
tors. eta vs tors. theta energy: -3.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -63.054074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.054074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.054074 (E_RNA)
where:
Base-Base interactions energy: -29.394
where: short stacking energy: -13.826
Base-Backbone interact. energy: -0.984
local terms energy: -32.675760
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -10.891
flat angles C4'-P-C4' energy: -6.755
flat angles P-C4'-P energy: -6.022
tors. eta vs tors. theta energy: 2.159
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: 3
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -67.721259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.721259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.721259 (E_RNA)
where:
Base-Base interactions energy: -31.399
where: short stacking energy: -31.399
Base-Backbone interact. energy: -0.022
local terms energy: -36.300238
where:
bonds (distance) C4'-P energy: -8.693
bonds (distance) P-C4' energy: -8.469
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -2.769
tors. eta vs tors. theta energy: -4.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -122.330864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.330864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.330864 (E_RNA)
where:
Base-Base interactions energy: -71.980
where: short stacking energy: -36.700
Base-Backbone interact. energy: -0.021
local terms energy: -50.330325
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -10.337
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -8.317
tors. eta vs tors. theta energy: -7.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -139.628088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.628088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.628088 (E_RNA)
where:
Base-Base interactions energy: -76.224
where: short stacking energy: -48.053
Base-Backbone interact. energy: -0.010
local terms energy: -63.393818
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -12.044
flat angles C4'-P-C4' energy: -11.107
flat angles P-C4'-P energy: -10.565
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: 7
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -83.594414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.594414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.594414 (E_RNA)
where:
Base-Base interactions energy: -36.267
where: short stacking energy: -36.267
Base-Backbone interact. energy: -0.048
local terms energy: -47.278948
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -10.531
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -4.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -117.841461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.841461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.841461 (E_RNA)
where:
Base-Base interactions energy: -65.048
where: short stacking energy: -29.890
Base-Backbone interact. energy: -0.213
local terms energy: -52.580337
where:
bonds (distance) C4'-P energy: -10.792
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -8.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -88.088882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.088882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.088882 (E_RNA)
where:
Base-Base interactions energy: -38.895
where: short stacking energy: -28.191
Base-Backbone interact. energy: -0.017
local terms energy: -49.176578
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -12.261
flat angles P-C4'-P energy: -6.676
tors. eta vs tors. theta energy: -5.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -83.003742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.003742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.003742 (E_RNA)
where:
Base-Base interactions energy: -39.240
where: short stacking energy: -39.240
Base-Backbone interact. energy: 0.612
local terms energy: -44.376079
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -10.228
flat angles C4'-P-C4' energy: -10.536
flat angles P-C4'-P energy: -4.511
tors. eta vs tors. theta energy: -6.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -70.075891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.075891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.075891 (E_RNA)
where:
Base-Base interactions energy: -25.522
where: short stacking energy: -25.476
Base-Backbone interact. energy: -0.100
local terms energy: -44.453735
where:
bonds (distance) C4'-P energy: -9.461
bonds (distance) P-C4' energy: -12.192
flat angles C4'-P-C4' energy: -9.560
flat angles P-C4'-P energy: -5.015
tors. eta vs tors. theta energy: -8.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -67.123036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.123036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.123036 (E_RNA)
where:
Base-Base interactions energy: -23.016
where: short stacking energy: -23.016
Base-Backbone interact. energy: -0.118
local terms energy: -43.989629
where:
bonds (distance) C4'-P energy: -9.588
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -9.088
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -5.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -65.427688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.427688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.427688 (E_RNA)
where:
Base-Base interactions energy: -26.776
where: short stacking energy: -20.377
Base-Backbone interact. energy: -0.297
local terms energy: -38.354946
where:
bonds (distance) C4'-P energy: -9.820
bonds (distance) P-C4' energy: -11.633
flat angles C4'-P-C4' energy: -9.858
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: -1.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -59.512541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.512541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.512541 (E_RNA)
where:
Base-Base interactions energy: -16.672
where: short stacking energy: -16.672
Base-Backbone interact. energy: -0.001
local terms energy: -42.839580
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -10.188
flat angles P-C4'-P energy: -7.221
tors. eta vs tors. theta energy: 1.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -122.310089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.310089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.310089 (E_RNA)
where:
Base-Base interactions energy: -70.785
where: short stacking energy: -40.480
Base-Backbone interact. energy: -0.292
local terms energy: -51.233855
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -9.122
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -8.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -138.363554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.363554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.363554 (E_RNA)
where:
Base-Base interactions energy: -79.017
where: short stacking energy: -49.304
Base-Backbone interact. energy: -0.017
local terms energy: -59.330026
where:
bonds (distance) C4'-P energy: -8.962
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -16.492
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: 81
Temperature: 1.000000
Total energy: -88.702635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.702635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.702635 (E_RNA)
where:
Base-Base interactions energy: -42.106
where: short stacking energy: -42.106
Base-Backbone interact. energy: -0.066
local terms energy: -46.531239
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -9.929
flat angles P-C4'-P energy: -5.381
tors. eta vs tors. theta energy: -7.022
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: 4, replica: 9
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -117.102656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.102656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.102656 (E_RNA)
where:
Base-Base interactions energy: -67.161
where: short stacking energy: -38.367
Base-Backbone interact. energy: -0.048
local terms energy: -49.894174
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -10.091
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -6.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -91.524736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.524736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.524736 (E_RNA)
where:
Base-Base interactions energy: -36.629
where: short stacking energy: -36.629
Base-Backbone interact. energy: -0.035
local terms energy: -54.860751
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -9.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -76.284865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.284865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.284865 (E_RNA)
where:
Base-Base interactions energy: -28.658
where: short stacking energy: -27.953
Base-Backbone interact. energy: -0.807
local terms energy: -46.819704
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -8.303
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -5.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -82.913685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.913685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.913685 (E_RNA)
where:
Base-Base interactions energy: -36.821
where: short stacking energy: -36.821
Base-Backbone interact. energy: -0.048
local terms energy: -46.045139
where:
bonds (distance) C4'-P energy: -10.308
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -4.356
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: -10.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -75.277572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.277572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.277572 (E_RNA)
where:
Base-Base interactions energy: -29.139
where: short stacking energy: -29.059
Base-Backbone interact. energy: -0.022
local terms energy: -46.115711
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -9.267
flat angles C4'-P-C4' energy: -8.847
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -7.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -55.774412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.774412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.774412 (E_RNA)
where:
Base-Base interactions energy: -20.402
where: short stacking energy: -20.402
Base-Backbone interact. energy: -1.531
local terms energy: -33.841342
where:
bonds (distance) C4'-P energy: -9.870
bonds (distance) P-C4' energy: -10.894
flat angles C4'-P-C4' energy: -6.621
flat angles P-C4'-P energy: -5.848
tors. eta vs tors. theta energy: -0.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -67.109767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.109767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.109767 (E_RNA)
where:
Base-Base interactions energy: -21.214
where: short stacking energy: -21.214
Base-Backbone interact. energy: -0.001
local terms energy: -45.895463
where:
bonds (distance) C4'-P energy: -7.116
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -10.456
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -6.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -138.646958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.646958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.646958 (E_RNA)
where:
Base-Base interactions energy: -78.898
where: short stacking energy: -49.431
Base-Backbone interact. energy: -0.026
local terms energy: -59.723169
where:
bonds (distance) C4'-P energy: -12.101
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -9.691
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: 2, replica: 8
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -145.241668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.241668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.241668 (E_RNA)
where:
Base-Base interactions energy: -87.574
where: short stacking energy: -53.833
Base-Backbone interact. energy: -0.002
local terms energy: -57.666001
where:
bonds (distance) C4'-P energy: -8.710
bonds (distance) P-C4' energy: -9.849
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -8.091
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: 3, replica: 9
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -126.673042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.673042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.673042 (E_RNA)
where:
Base-Base interactions energy: -75.563
where: short stacking energy: -47.642
Base-Backbone interact. energy: -0.027
local terms energy: -51.083263
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -9.309
flat angles P-C4'-P energy: -5.278
tors. eta vs tors. theta energy: -11.825
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: 7
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -81.882740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.882740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.882740 (E_RNA)
where:
Base-Base interactions energy: -29.482
where: short stacking energy: -29.809
Base-Backbone interact. energy: -0.106
local terms energy: -52.294201
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -9.834
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -6.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -74.565201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.565201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.565201 (E_RNA)
where:
Base-Base interactions energy: -31.624
where: short stacking energy: -27.452
Base-Backbone interact. energy: 1.631
local terms energy: -44.571950
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -2.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -75.375145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.375145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.375145 (E_RNA)
where:
Base-Base interactions energy: -27.168
where: short stacking energy: -27.168
Base-Backbone interact. energy: -0.172
local terms energy: -48.034582
where:
bonds (distance) C4'-P energy: -11.617
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -9.525
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -5.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -70.099250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.099250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.099250 (E_RNA)
where:
Base-Base interactions energy: -25.346
where: short stacking energy: -25.346
Base-Backbone interact. energy: -0.255
local terms energy: -44.498168
where:
bonds (distance) C4'-P energy: -11.008
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -8.723
flat angles P-C4'-P energy: -4.794
tors. eta vs tors. theta energy: -5.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -55.940429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.940429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.940429 (E_RNA)
where:
Base-Base interactions energy: -20.807
where: short stacking energy: -20.807
Base-Backbone interact. energy: -0.028
local terms energy: -35.105127
where:
bonds (distance) C4'-P energy: -8.715
bonds (distance) P-C4' energy: -9.869
flat angles C4'-P-C4' energy: -10.122
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: 2.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -62.177641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.177641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.177641 (E_RNA)
where:
Base-Base interactions energy: -26.872
where: short stacking energy: -26.872
Base-Backbone interact. energy: -0.049
local terms energy: -35.257047
where:
bonds (distance) C4'-P energy: -8.979
bonds (distance) P-C4' energy: -11.155
flat angles C4'-P-C4' energy: -9.109
flat angles P-C4'-P energy: -5.637
tors. eta vs tors. theta energy: -0.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -73.455320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.455320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.455320 (E_RNA)
where:
Base-Base interactions energy: -26.993
where: short stacking energy: -26.993
Base-Backbone interact. energy: -0.080
local terms energy: -46.382205
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -9.066
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: -4.608
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: 1, replica: 4
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -134.955216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.955216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.955216 (E_RNA)
where:
Base-Base interactions energy: -78.558
where: short stacking energy: -50.957
Base-Backbone interact. energy: -0.039
local terms energy: -56.358762
where:
bonds (distance) C4'-P energy: -9.149
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -6.824
tors. eta vs tors. theta energy: -13.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -127.615359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.615359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.615359 (E_RNA)
where:
Base-Base interactions energy: -72.276
where: short stacking energy: -46.187
Base-Backbone interact. energy: -0.041
local terms energy: -55.298440
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -7.265
tors. eta vs tors. theta energy: -11.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -128.860090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.860090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.860090 (E_RNA)
where:
Base-Base interactions energy: -69.928
where: short stacking energy: -38.682
Base-Backbone interact. energy: -0.018
local terms energy: -58.913966
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -12.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -85.589087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.589087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.589087 (E_RNA)
where:
Base-Base interactions energy: -36.049
where: short stacking energy: -36.049
Base-Backbone interact. energy: -0.004
local terms energy: -49.536139
where:
bonds (distance) C4'-P energy: -5.038
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -9.138
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: 5, replica: 7
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -86.443147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.443147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.443147 (E_RNA)
where:
Base-Base interactions energy: -29.891
where: short stacking energy: -29.860
Base-Backbone interact. energy: -0.001
local terms energy: -56.551199
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -9.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -81.270476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.270476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.270476 (E_RNA)
where:
Base-Base interactions energy: -34.391
where: short stacking energy: -34.391
Base-Backbone interact. energy: -0.086
local terms energy: -46.793307
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -8.550
flat angles P-C4'-P energy: -4.356
tors. eta vs tors. theta energy: -7.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -77.360983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.360983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.360983 (E_RNA)
where:
Base-Base interactions energy: -31.004
where: short stacking energy: -30.777
Base-Backbone interact. energy: -0.095
local terms energy: -46.262807
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -9.763
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -4.982
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: 83
Temperature: 1.250000
Total energy: -68.744060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.744060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.744060 (E_RNA)
where:
Base-Base interactions energy: -31.714
where: short stacking energy: -31.714
Base-Backbone interact. energy: -0.056
local terms energy: -36.973912
where:
bonds (distance) C4'-P energy: -6.536
bonds (distance) P-C4' energy: -9.057
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -3.850
tors. eta vs tors. theta energy: -5.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -66.162922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.162922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.162922 (E_RNA)
where:
Base-Base interactions energy: -20.892
where: short stacking energy: -20.892
Base-Backbone interact. energy: -0.114
local terms energy: -45.157479
where:
bonds (distance) C4'-P energy: -9.580
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -11.254
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: 0.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -59.347596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.347596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.347596 (E_RNA)
where:
Base-Base interactions energy: -19.874
where: short stacking energy: -19.874
Base-Backbone interact. energy: -0.050
local terms energy: -39.423827
where:
bonds (distance) C4'-P energy: -7.800
bonds (distance) P-C4' energy: -10.575
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: 0.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -135.733750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.733750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.733750 (E_RNA)
where:
Base-Base interactions energy: -83.339
where: short stacking energy: -41.953
Base-Backbone interact. energy: -0.305
local terms energy: -52.089972
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -10.152
flat angles P-C4'-P energy: -3.634
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: 2, replica: 9
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -143.854182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.854182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.854182 (E_RNA)
where:
Base-Base interactions energy: -86.986
where: short stacking energy: -48.759
Base-Backbone interact. energy: -0.132
local terms energy: -56.736655
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -11.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -133.624717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.624717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.624717 (E_RNA)
where:
Base-Base interactions energy: -78.056
where: short stacking energy: -49.427
Base-Backbone interact. energy: -0.000
local terms energy: -55.569142
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -10.474
flat angles C4'-P-C4' energy: -10.333
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -14.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -75.461515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.461515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.461515 (E_RNA)
where:
Base-Base interactions energy: -27.318
where: short stacking energy: -27.318
Base-Backbone interact. energy: -0.009
local terms energy: -48.134254
where:
bonds (distance) C4'-P energy: -10.772
bonds (distance) P-C4' energy: -11.395
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -7.748
tors. eta vs tors. theta energy: -5.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -83.585455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.585455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.585455 (E_RNA)
where:
Base-Base interactions energy: -45.200
where: short stacking energy: -40.734
Base-Backbone interact. energy: -0.211
local terms energy: -38.174344
where:
bonds (distance) C4'-P energy: -9.167
bonds (distance) P-C4' energy: -10.042
flat angles C4'-P-C4' energy: -9.049
flat angles P-C4'-P energy: -2.417
tors. eta vs tors. theta energy: -7.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -80.819703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.819703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.819703 (E_RNA)
where:
Base-Base interactions energy: -39.220
where: short stacking energy: -39.220
Base-Backbone interact. energy: -0.016
local terms energy: -41.583207
where:
bonds (distance) C4'-P energy: -9.464
bonds (distance) P-C4' energy: -8.760
flat angles C4'-P-C4' energy: -9.154
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -5.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -65.057331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.057331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.057331 (E_RNA)
where:
Base-Base interactions energy: -27.284
where: short stacking energy: -27.284
Base-Backbone interact. energy: -0.028
local terms energy: -37.744909
where:
bonds (distance) C4'-P energy: -9.605
bonds (distance) P-C4' energy: -11.409
flat angles C4'-P-C4' energy: -10.936
flat angles P-C4'-P energy: -3.812
tors. eta vs tors. theta energy: -1.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -68.465296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.465296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.465296 (E_RNA)
where:
Base-Base interactions energy: -29.153
where: short stacking energy: -29.153
Base-Backbone interact. energy: -0.020
local terms energy: -39.291673
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -8.900
flat angles C4'-P-C4' energy: -4.024
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -5.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -63.188135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.188135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.188135 (E_RNA)
where:
Base-Base interactions energy: -21.252
where: short stacking energy: -21.033
Base-Backbone interact. energy: -0.376
local terms energy: -41.560910
where:
bonds (distance) C4'-P energy: -13.786
bonds (distance) P-C4' energy: -8.379
flat angles C4'-P-C4' energy: -5.761
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -5.889
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: 1
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -65.988601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.988601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.988601 (E_RNA)
where:
Base-Base interactions energy: -22.728
where: short stacking energy: -18.310
Base-Backbone interact. energy: -0.046
local terms energy: -43.214815
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -8.698
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -1.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -139.141603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.141603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.141603 (E_RNA)
where:
Base-Base interactions energy: -82.708
where: short stacking energy: -47.382
Base-Backbone interact. energy: -0.122
local terms energy: -56.311467
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -11.238
flat angles P-C4'-P energy: -7.066
tors. eta vs tors. theta energy: -14.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -120.802337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.802337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.802337 (E_RNA)
where:
Base-Base interactions energy: -67.965
where: short stacking energy: -35.372
Base-Backbone interact. energy: -0.187
local terms energy: -52.650197
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -9.691
flat angles P-C4'-P energy: -6.786
tors. eta vs tors. theta energy: -11.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -122.953416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.953416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.953416 (E_RNA)
where:
Base-Base interactions energy: -72.681
where: short stacking energy: -41.992
Base-Backbone interact. energy: -0.131
local terms energy: -50.141199
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -10.909
flat angles P-C4'-P energy: -4.382
tors. eta vs tors. theta energy: -10.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -86.308143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.308143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.308143 (E_RNA)
where:
Base-Base interactions energy: -37.072
where: short stacking energy: -37.072
Base-Backbone interact. energy: -0.132
local terms energy: -49.104099
where:
bonds (distance) C4'-P energy: -10.379
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -10.389
flat angles P-C4'-P energy: -5.787
tors. eta vs tors. theta energy: -9.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -81.456085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.456085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.456085 (E_RNA)
where:
Base-Base interactions energy: -30.870
where: short stacking energy: -30.870
Base-Backbone interact. energy: -0.031
local terms energy: -50.555092
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -10.599
flat angles C4'-P-C4' energy: -10.031
flat angles P-C4'-P energy: -8.435
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: 6, replica: 3
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -80.417194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.417194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.417194 (E_RNA)
where:
Base-Base interactions energy: -32.860
where: short stacking energy: -32.860
Base-Backbone interact. energy: -0.000
local terms energy: -47.557306
where:
bonds (distance) C4'-P energy: -10.822
bonds (distance) P-C4' energy: -10.780
flat angles C4'-P-C4' energy: -10.377
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -7.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -74.664509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.664509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.664509 (E_RNA)
where:
Base-Base interactions energy: -24.110
where: short stacking energy: -22.897
Base-Backbone interact. energy: -0.022
local terms energy: -50.532767
where:
bonds (distance) C4'-P energy: -11.107
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -6.708
tors. eta vs tors. theta energy: -5.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -67.474921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.474921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.474921 (E_RNA)
where:
Base-Base interactions energy: -24.362
where: short stacking energy: -26.362
Base-Backbone interact. energy: -0.155
local terms energy: -42.957702
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -10.081
flat angles P-C4'-P energy: -2.496
tors. eta vs tors. theta energy: -6.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -68.512720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.512720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.512720 (E_RNA)
where:
Base-Base interactions energy: -23.104
where: short stacking energy: -23.104
Base-Backbone interact. energy: -0.127
local terms energy: -45.281661
where:
bonds (distance) C4'-P energy: -10.010
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -9.537
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -3.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -61.159510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.159510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.159510 (E_RNA)
where:
Base-Base interactions energy: -19.354
where: short stacking energy: -17.349
Base-Backbone interact. energy: -0.013
local terms energy: -41.792279
where:
bonds (distance) C4'-P energy: -9.829
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -6.433
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: 1, replica: 8
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -136.657743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.657743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.657743 (E_RNA)
where:
Base-Base interactions energy: -79.262
where: short stacking energy: -48.669
Base-Backbone interact. energy: -0.106
local terms energy: -57.289454
where:
bonds (distance) C4'-P energy: -10.690
bonds (distance) P-C4' energy: -12.176
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -12.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -137.228681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.228681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.228681 (E_RNA)
where:
Base-Base interactions energy: -80.499
where: short stacking energy: -45.843
Base-Backbone interact. energy: -0.002
local terms energy: -56.726988
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -10.858
flat angles C4'-P-C4' energy: -10.660
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -12.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -131.483927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.483927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.483927 (E_RNA)
where:
Base-Base interactions energy: -77.674
where: short stacking energy: -49.598
Base-Backbone interact. energy: -0.001
local terms energy: -53.809460
where:
bonds (distance) C4'-P energy: -11.249
bonds (distance) P-C4' energy: -7.694
flat angles C4'-P-C4' energy: -11.357
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -13.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -97.781578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.781578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.781578 (E_RNA)
where:
Base-Base interactions energy: -40.586
where: short stacking energy: -40.586
Base-Backbone interact. energy: -0.002
local terms energy: -57.193712
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -11.692
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -8.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -80.832501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.832501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.832501 (E_RNA)
where:
Base-Base interactions energy: -31.370
where: short stacking energy: -30.016
Base-Backbone interact. energy: -0.336
local terms energy: -49.127389
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -8.690
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -7.634
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: 6, replica: 3
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -79.475110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.475110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.475110 (E_RNA)
where:
Base-Base interactions energy: -27.504
where: short stacking energy: -27.504
Base-Backbone interact. energy: 0.862
local terms energy: -52.833062
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -14.932
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -3.422
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: 7
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -89.582088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.582088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.582088 (E_RNA)
where:
Base-Base interactions energy: -37.391
where: short stacking energy: -37.391
Base-Backbone interact. energy: -0.000
local terms energy: -52.191216
where:
bonds (distance) C4'-P energy: -8.541
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -8.979
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -10.289
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: 6
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -70.104727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.104727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.104727 (E_RNA)
where:
Base-Base interactions energy: -25.819
where: short stacking energy: -25.819
Base-Backbone interact. energy: -0.055
local terms energy: -44.230370
where:
bonds (distance) C4'-P energy: -10.168
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -9.978
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -3.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -62.770654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.770654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.770654 (E_RNA)
where:
Base-Base interactions energy: -20.265
where: short stacking energy: -20.365
Base-Backbone interact. energy: -0.074
local terms energy: -42.431062
where:
bonds (distance) C4'-P energy: -13.682
bonds (distance) P-C4' energy: -9.654
flat angles C4'-P-C4' energy: -8.773
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -63.977170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.977170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.977170 (E_RNA)
where:
Base-Base interactions energy: -27.029
where: short stacking energy: -17.261
Base-Backbone interact. energy: -0.401
local terms energy: -36.547212
where:
bonds (distance) C4'-P energy: -9.704
bonds (distance) P-C4' energy: -9.834
flat angles C4'-P-C4' energy: -8.645
flat angles P-C4'-P energy: -10.070
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: 8
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -132.607028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.607028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.607028 (E_RNA)
where:
Base-Base interactions energy: -76.065
where: short stacking energy: -46.816
Base-Backbone interact. energy: -0.106
local terms energy: -56.436157
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -11.381
flat angles C4'-P-C4' energy: -11.231
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -12.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -148.335604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.335604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.335604 (E_RNA)
where:
Base-Base interactions energy: -86.760
where: short stacking energy: -49.836
Base-Backbone interact. energy: -0.002
local terms energy: -61.573422
where:
bonds (distance) C4'-P energy: -10.537
bonds (distance) P-C4' energy: -11.292
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -16.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -138.033174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.033174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.033174 (E_RNA)
where:
Base-Base interactions energy: -77.260
where: short stacking energy: -47.918
Base-Backbone interact. energy: -0.028
local terms energy: -60.745591
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -11.123
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -15.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -81.665384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.665384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.665384 (E_RNA)
where:
Base-Base interactions energy: -36.137
where: short stacking energy: -36.137
Base-Backbone interact. energy: -0.057
local terms energy: -45.471544
where:
bonds (distance) C4'-P energy: -7.972
bonds (distance) P-C4' energy: -7.142
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -5.910
tors. eta vs tors. theta energy: -10.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -86.551129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.551129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.551129 (E_RNA)
where:
Base-Base interactions energy: -36.354
where: short stacking energy: -36.354
Base-Backbone interact. energy: -0.002
local terms energy: -50.195104
where:
bonds (distance) C4'-P energy: -11.264
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -9.987
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -8.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -72.050311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.050311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.050311 (E_RNA)
where:
Base-Base interactions energy: -22.306
where: short stacking energy: -22.306
Base-Backbone interact. energy: -0.164
local terms energy: -49.580894
where:
bonds (distance) C4'-P energy: -8.880
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -11.049
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -8.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -79.706982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.706982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.706982 (E_RNA)
where:
Base-Base interactions energy: -37.852
where: short stacking energy: -33.353
Base-Backbone interact. energy: -0.001
local terms energy: -41.853720
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -12.063
flat angles C4'-P-C4' energy: -11.583
flat angles P-C4'-P energy: -1.906
tors. eta vs tors. theta energy: -6.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -70.704393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.704393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.704393 (E_RNA)
where:
Base-Base interactions energy: -24.585
where: short stacking energy: -24.585
Base-Backbone interact. energy: -0.055
local terms energy: -46.064387
where:
bonds (distance) C4'-P energy: -11.584
bonds (distance) P-C4' energy: -11.212
flat angles C4'-P-C4' energy: -9.885
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -3.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -67.185435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.185435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.185435 (E_RNA)
where:
Base-Base interactions energy: -25.483
where: short stacking energy: -25.483
Base-Backbone interact. energy: -0.135
local terms energy: -41.568276
where:
bonds (distance) C4'-P energy: -10.532
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -4.787
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -6.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -64.227798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.227798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.227798 (E_RNA)
where:
Base-Base interactions energy: -34.367
where: short stacking energy: -23.974
Base-Backbone interact. energy: -0.074
local terms energy: -29.787131
where:
bonds (distance) C4'-P energy: -11.162
bonds (distance) P-C4' energy: -6.819
flat angles C4'-P-C4' energy: -10.141
flat angles P-C4'-P energy: 1.010
tors. eta vs tors. theta energy: -2.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -143.826395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.826395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.826395 (E_RNA)
where:
Base-Base interactions energy: -85.107
where: short stacking energy: -54.241
Base-Backbone interact. energy: -0.081
local terms energy: -58.638918
where:
bonds (distance) C4'-P energy: -9.667
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -16.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -139.060221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.060221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.060221 (E_RNA)
where:
Base-Base interactions energy: -83.110
where: short stacking energy: -48.158
Base-Backbone interact. energy: -0.201
local terms energy: -55.749529
where:
bonds (distance) C4'-P energy: -10.739
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -13.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -128.178168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.178168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.178168 (E_RNA)
where:
Base-Base interactions energy: -74.436
where: short stacking energy: -43.427
Base-Backbone interact. energy: -0.002
local terms energy: -53.740569
where:
bonds (distance) C4'-P energy: -11.443
bonds (distance) P-C4' energy: -11.589
flat angles C4'-P-C4' energy: -11.607
flat angles P-C4'-P energy: -5.753
tors. eta vs tors. theta energy: -13.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -85.690559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.690559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.690559 (E_RNA)
where:
Base-Base interactions energy: -40.370
where: short stacking energy: -30.678
Base-Backbone interact. energy: 0.001
local terms energy: -45.321496
where:
bonds (distance) C4'-P energy: -9.345
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -10.096
flat angles P-C4'-P energy: -7.044
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: 5, replica: 5
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -85.505917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.505917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.505917 (E_RNA)
where:
Base-Base interactions energy: -40.108
where: short stacking energy: -40.108
Base-Backbone interact. energy: -0.003
local terms energy: -45.394423
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -7.977
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: -7.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -74.070609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.070609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.070609 (E_RNA)
where:
Base-Base interactions energy: -31.181
where: short stacking energy: -22.735
Base-Backbone interact. energy: -0.131
local terms energy: -42.758554
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -8.859
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: -3.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -80.182571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.182571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.182571 (E_RNA)
where:
Base-Base interactions energy: -30.584
where: short stacking energy: -30.584
Base-Backbone interact. energy: -0.031
local terms energy: -49.566812
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -5.758
tors. eta vs tors. theta energy: -7.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -70.355953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.355953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.355953 (E_RNA)
where:
Base-Base interactions energy: -28.428
where: short stacking energy: -28.428
Base-Backbone interact. energy: -0.169
local terms energy: -41.759599
where:
bonds (distance) C4'-P energy: -10.660
bonds (distance) P-C4' energy: -11.070
flat angles C4'-P-C4' energy: -9.091
flat angles P-C4'-P energy: -3.687
tors. eta vs tors. theta energy: -7.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -76.148838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.148838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.148838 (E_RNA)
where:
Base-Base interactions energy: -38.955
where: short stacking energy: -38.955
Base-Backbone interact. energy: -0.003
local terms energy: -37.190439
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -8.505
flat angles C4'-P-C4' energy: -7.666
flat angles P-C4'-P energy: -1.413
tors. eta vs tors. theta energy: -8.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -58.414458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.414458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.414458 (E_RNA)
where:
Base-Base interactions energy: -24.316
where: short stacking energy: -17.120
Base-Backbone interact. energy: -0.270
local terms energy: -33.828328
where:
bonds (distance) C4'-P energy: -10.321
bonds (distance) P-C4' energy: -8.202
flat angles C4'-P-C4' energy: -10.256
flat angles P-C4'-P energy: -3.803
tors. eta vs tors. theta energy: -1.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -136.580849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.580849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.580849 (E_RNA)
where:
Base-Base interactions energy: -78.316
where: short stacking energy: -43.980
Base-Backbone interact. energy: -0.001
local terms energy: -58.262961
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -11.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -128.822521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.822521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.822521 (E_RNA)
where:
Base-Base interactions energy: -75.088
where: short stacking energy: -46.113
Base-Backbone interact. energy: -0.096
local terms energy: -53.637683
where:
bonds (distance) C4'-P energy: -11.008
bonds (distance) P-C4' energy: -9.295
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -12.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -121.664515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.664515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.664515 (E_RNA)
where:
Base-Base interactions energy: -68.940
where: short stacking energy: -39.297
Base-Backbone interact. energy: -0.008
local terms energy: -52.716563
where:
bonds (distance) C4'-P energy: -11.476
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -4.467
tors. eta vs tors. theta energy: -9.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -109.867887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.867887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.867887 (E_RNA)
where:
Base-Base interactions energy: -56.515
where: short stacking energy: -41.705
Base-Backbone interact. energy: -0.041
local terms energy: -53.311908
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -12.660
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -7.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -82.930844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.930844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.930844 (E_RNA)
where:
Base-Base interactions energy: -31.290
where: short stacking energy: -27.157
Base-Backbone interact. energy: -0.004
local terms energy: -51.637235
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -5.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -79.454077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.454077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.454077 (E_RNA)
where:
Base-Base interactions energy: -33.786
where: short stacking energy: -33.886
Base-Backbone interact. energy: -0.044
local terms energy: -45.624368
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -10.533
flat angles C4'-P-C4' energy: -8.395
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -6.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -69.988666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.988666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.988666 (E_RNA)
where:
Base-Base interactions energy: -30.877
where: short stacking energy: -26.026
Base-Backbone interact. energy: -0.059
local terms energy: -39.052551
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -9.050
flat angles C4'-P-C4' energy: -7.253
flat angles P-C4'-P energy: -4.795
tors. eta vs tors. theta energy: -5.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -71.837134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.837134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.837134 (E_RNA)
where:
Base-Base interactions energy: -22.190
where: short stacking energy: -18.400
Base-Backbone interact. energy: -0.125
local terms energy: -49.522041
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -5.629
tors. eta vs tors. theta energy: -3.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -63.673117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.673117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.673117 (E_RNA)
where:
Base-Base interactions energy: -21.727
where: short stacking energy: -21.727
Base-Backbone interact. energy: -0.082
local terms energy: -41.864960
where:
bonds (distance) C4'-P energy: -10.759
bonds (distance) P-C4' energy: -11.870
flat angles C4'-P-C4' energy: -8.185
flat angles P-C4'-P energy: -5.203
tors. eta vs tors. theta energy: -5.847
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: 10, replica: 1
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -62.015632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.015632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.015632 (E_RNA)
where:
Base-Base interactions energy: -22.302
where: short stacking energy: -22.302
Base-Backbone interact. energy: 0.543
local terms energy: -40.256829
where:
bonds (distance) C4'-P energy: -11.265
bonds (distance) P-C4' energy: -8.927
flat angles C4'-P-C4' energy: -8.627
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -2.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -143.867138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.867138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.867138 (E_RNA)
where:
Base-Base interactions energy: -86.057
where: short stacking energy: -55.265
Base-Backbone interact. energy: -0.008
local terms energy: -57.802111
where:
bonds (distance) C4'-P energy: -10.528
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -13.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -129.727215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.727215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.727215 (E_RNA)
where:
Base-Base interactions energy: -74.248
where: short stacking energy: -41.951
Base-Backbone interact. energy: -0.006
local terms energy: -55.473996
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -9.972
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -11.214
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: 8
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -132.364870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.364870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.364870 (E_RNA)
where:
Base-Base interactions energy: -77.907
where: short stacking energy: -46.931
Base-Backbone interact. energy: -0.101
local terms energy: -54.356600
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -9.225
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -12.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -116.321574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.321574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.321574 (E_RNA)
where:
Base-Base interactions energy: -61.642
where: short stacking energy: -38.852
Base-Backbone interact. energy: -0.079
local terms energy: -54.601293
where:
bonds (distance) C4'-P energy: -10.685
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -8.688
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: 10
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -90.203280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.203280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.203280 (E_RNA)
where:
Base-Base interactions energy: -42.855
where: short stacking energy: -37.432
Base-Backbone interact. energy: -0.101
local terms energy: -47.247115
where:
bonds (distance) C4'-P energy: -9.506
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -5.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -87.059173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.059173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.059173 (E_RNA)
where:
Base-Base interactions energy: -31.254
where: short stacking energy: -31.254
Base-Backbone interact. energy: -0.004
local terms energy: -55.801749
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -7.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -74.062767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.062767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.062767 (E_RNA)
where:
Base-Base interactions energy: -37.954
where: short stacking energy: -19.651
Base-Backbone interact. energy: -0.025
local terms energy: -36.083804
where:
bonds (distance) C4'-P energy: -9.033
bonds (distance) P-C4' energy: -11.298
flat angles C4'-P-C4' energy: -10.467
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: 2.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -67.944240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.944240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.944240 (E_RNA)
where:
Base-Base interactions energy: -28.873
where: short stacking energy: -28.873
Base-Backbone interact. energy: -0.094
local terms energy: -38.977240
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -10.572
flat angles C4'-P-C4' energy: -10.617
flat angles P-C4'-P energy: -1.587
tors. eta vs tors. theta energy: -5.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -67.516842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.516842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.516842 (E_RNA)
where:
Base-Base interactions energy: -24.280
where: short stacking energy: -24.280
Base-Backbone interact. energy: -0.025
local terms energy: -43.212402
where:
bonds (distance) C4'-P energy: -9.224
bonds (distance) P-C4' energy: -9.601
flat angles C4'-P-C4' energy: -10.230
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -5.519
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: 10, replica: 1
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -72.766431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.766431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.766431 (E_RNA)
where:
Base-Base interactions energy: -25.551
where: short stacking energy: -22.021
Base-Backbone interact. energy: -0.020
local terms energy: -47.195717
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -10.758
flat angles P-C4'-P energy: -5.862
tors. eta vs tors. theta energy: -6.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -144.539198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.539198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.539198 (E_RNA)
where:
Base-Base interactions energy: -88.957
where: short stacking energy: -48.004
Base-Backbone interact. energy: -0.005
local terms energy: -55.577230
where:
bonds (distance) C4'-P energy: -9.209
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -11.548
flat angles P-C4'-P energy: -8.424
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: 2, replica: 4
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -144.655795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.655795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.655795 (E_RNA)
where:
Base-Base interactions energy: -87.429
where: short stacking energy: -51.069
Base-Backbone interact. energy: -0.102
local terms energy: -57.125760
where:
bonds (distance) C4'-P energy: -9.638
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: -12.892
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: 8
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -122.167784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.167784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.167784 (E_RNA)
where:
Base-Base interactions energy: -69.795
where: short stacking energy: -41.266
Base-Backbone interact. energy: -0.025
local terms energy: -52.347910
where:
bonds (distance) C4'-P energy: -7.874
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -11.043
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -10.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -118.502256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.502256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.502256 (E_RNA)
where:
Base-Base interactions energy: -69.710
where: short stacking energy: -45.578
Base-Backbone interact. energy: -0.156
local terms energy: -48.636242
where:
bonds (distance) C4'-P energy: -11.194
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -10.881
flat angles P-C4'-P energy: -1.104
tors. eta vs tors. theta energy: -11.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -81.709540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.709540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.709540 (E_RNA)
where:
Base-Base interactions energy: -40.030
where: short stacking energy: -38.112
Base-Backbone interact. energy: -0.242
local terms energy: -41.437226
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -6.120
flat angles P-C4'-P energy: -0.274
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: 6, replica: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -75.699636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.699636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.699636 (E_RNA)
where:
Base-Base interactions energy: -32.779
where: short stacking energy: -32.779
Base-Backbone interact. energy: -0.078
local terms energy: -42.843239
where:
bonds (distance) C4'-P energy: -6.201
bonds (distance) P-C4' energy: -10.967
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -6.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -100.316516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.316516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.316516 (E_RNA)
where:
Base-Base interactions energy: -55.069
where: short stacking energy: -29.449
Base-Backbone interact. energy: -0.015
local terms energy: -45.232169
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -9.208
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -2.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -65.298274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.298274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.298274 (E_RNA)
where:
Base-Base interactions energy: -23.236
where: short stacking energy: -21.949
Base-Backbone interact. energy: -0.092
local terms energy: -41.970251
where:
bonds (distance) C4'-P energy: -8.314
bonds (distance) P-C4' energy: -11.317
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -3.970
tors. eta vs tors. theta energy: -5.638
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: 3
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -61.233925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.233925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.233925 (E_RNA)
where:
Base-Base interactions energy: -20.935
where: short stacking energy: -20.935
Base-Backbone interact. energy: -0.063
local terms energy: -40.236602
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -5.877
flat angles P-C4'-P energy: -7.201
tors. eta vs tors. theta energy: -1.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -65.067943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.067943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.067943 (E_RNA)
where:
Base-Base interactions energy: -26.558
where: short stacking energy: -20.540
Base-Backbone interact. energy: -0.255
local terms energy: -38.254396
where:
bonds (distance) C4'-P energy: -9.986
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -10.000
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: -0.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -150.532617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.532617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.532617 (E_RNA)
where:
Base-Base interactions energy: -89.711
where: short stacking energy: -53.624
Base-Backbone interact. energy: -0.007
local terms energy: -60.815127
where:
bonds (distance) C4'-P energy: -11.816
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -11.657
flat angles P-C4'-P energy: -8.069
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: 2, replica: 9
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -132.532122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.532122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.532122 (E_RNA)
where:
Base-Base interactions energy: -75.716
where: short stacking energy: -47.529
Base-Backbone interact. energy: -0.012
local terms energy: -56.804711
where:
bonds (distance) C4'-P energy: -9.676
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -10.940
flat angles P-C4'-P energy: -9.350
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: 5
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -127.977623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.977623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.977623 (E_RNA)
where:
Base-Base interactions energy: -71.320
where: short stacking energy: -40.348
Base-Backbone interact. energy: -0.006
local terms energy: -56.651647
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -10.933
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -11.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -120.515823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.515823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.515823 (E_RNA)
where:
Base-Base interactions energy: -69.274
where: short stacking energy: -39.482
Base-Backbone interact. energy: -0.011
local terms energy: -51.231173
where:
bonds (distance) C4'-P energy: -9.643
bonds (distance) P-C4' energy: -12.028
flat angles C4'-P-C4' energy: -10.540
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -10.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -83.510769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.510769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.510769 (E_RNA)
where:
Base-Base interactions energy: -32.933
where: short stacking energy: -32.682
Base-Backbone interact. energy: -0.187
local terms energy: -50.391424
where:
bonds (distance) C4'-P energy: -10.255
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -9.510
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -7.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -66.890040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.890040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.890040 (E_RNA)
where:
Base-Base interactions energy: -28.038
where: short stacking energy: -26.307
Base-Backbone interact. energy: -0.124
local terms energy: -38.728107
where:
bonds (distance) C4'-P energy: -10.147
bonds (distance) P-C4' energy: -8.965
flat angles C4'-P-C4' energy: -10.145
flat angles P-C4'-P energy: -4.012
tors. eta vs tors. theta energy: -5.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -85.568483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.568483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.568483 (E_RNA)
where:
Base-Base interactions energy: -39.833
where: short stacking energy: -36.003
Base-Backbone interact. energy: -0.053
local terms energy: -45.681990
where:
bonds (distance) C4'-P energy: -10.068
bonds (distance) P-C4' energy: -10.923
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -6.328
tors. eta vs tors. theta energy: -6.574
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: 2
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -87.964789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.964789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.964789 (E_RNA)
where:
Base-Base interactions energy: -46.520
where: short stacking energy: -23.105
Base-Backbone interact. energy: -0.086
local terms energy: -41.359089
where:
bonds (distance) C4'-P energy: -9.528
bonds (distance) P-C4' energy: -9.401
flat angles C4'-P-C4' energy: -10.271
flat angles P-C4'-P energy: -8.317
tors. eta vs tors. theta energy: -3.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -63.797137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.797137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.797137 (E_RNA)
where:
Base-Base interactions energy: -31.669
where: short stacking energy: -21.664
Base-Backbone interact. energy: -0.207
local terms energy: -31.920921
where:
bonds (distance) C4'-P energy: -7.948
bonds (distance) P-C4' energy: -8.758
flat angles C4'-P-C4' energy: -7.889
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: 0.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -63.881675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.881675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.881675 (E_RNA)
where:
Base-Base interactions energy: -24.023
where: short stacking energy: -24.023
Base-Backbone interact. energy: -0.037
local terms energy: -39.822121
where:
bonds (distance) C4'-P energy: -8.751
bonds (distance) P-C4' energy: -8.479
flat angles C4'-P-C4' energy: -8.334
flat angles P-C4'-P energy: -10.483
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: 1, replica: 4
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -121.827154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.827154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.827154 (E_RNA)
where:
Base-Base interactions energy: -71.259
where: short stacking energy: -42.775
Base-Backbone interact. energy: -0.241
local terms energy: -50.326369
where:
bonds (distance) C4'-P energy: -10.755
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -8.490
flat angles P-C4'-P energy: -5.837
tors. eta vs tors. theta energy: -11.977
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: 5
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -134.811048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.811048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.811048 (E_RNA)
where:
Base-Base interactions energy: -80.943
where: short stacking energy: -49.282
Base-Backbone interact. energy: -0.017
local terms energy: -53.850116
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -7.999
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -11.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -128.731543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.731543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.731543 (E_RNA)
where:
Base-Base interactions energy: -71.664
where: short stacking energy: -41.521
Base-Backbone interact. energy: -0.069
local terms energy: -56.999198
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -12.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -116.046352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.046352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.046352 (E_RNA)
where:
Base-Base interactions energy: -68.382
where: short stacking energy: -41.365
Base-Backbone interact. energy: -0.008
local terms energy: -47.656077
where:
bonds (distance) C4'-P energy: -7.998
bonds (distance) P-C4' energy: -8.889
flat angles C4'-P-C4' energy: -10.456
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -13.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -80.095266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.095266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.095266 (E_RNA)
where:
Base-Base interactions energy: -31.580
where: short stacking energy: -27.853
Base-Backbone interact. energy: 0.265
local terms energy: -48.779976
where:
bonds (distance) C4'-P energy: -10.437
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -7.079
tors. eta vs tors. theta energy: -4.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -72.045611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.045611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.045611 (E_RNA)
where:
Base-Base interactions energy: -31.499
where: short stacking energy: -31.039
Base-Backbone interact. energy: -0.038
local terms energy: -40.508624
where:
bonds (distance) C4'-P energy: -6.592
bonds (distance) P-C4' energy: -9.351
flat angles C4'-P-C4' energy: -9.296
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -6.601
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: 10
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -78.738075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.738075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.738075 (E_RNA)
where:
Base-Base interactions energy: -34.074
where: short stacking energy: -34.074
Base-Backbone interact. energy: -0.076
local terms energy: -44.588048
where:
bonds (distance) C4'-P energy: -8.528
bonds (distance) P-C4' energy: -9.563
flat angles C4'-P-C4' energy: -7.801
flat angles P-C4'-P energy: -6.958
tors. eta vs tors. theta energy: -11.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -77.061810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.061810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.061810 (E_RNA)
where:
Base-Base interactions energy: -37.380
where: short stacking energy: -34.603
Base-Backbone interact. energy: -0.171
local terms energy: -39.511019
where:
bonds (distance) C4'-P energy: -7.790
bonds (distance) P-C4' energy: -9.898
flat angles C4'-P-C4' energy: -10.895
flat angles P-C4'-P energy: -5.293
tors. eta vs tors. theta energy: -5.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -70.348555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.348555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.348555 (E_RNA)
where:
Base-Base interactions energy: -31.162
where: short stacking energy: -25.599
Base-Backbone interact. energy: 1.680
local terms energy: -40.867181
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -10.494
flat angles C4'-P-C4' energy: -7.706
flat angles P-C4'-P energy: -7.423
tors. eta vs tors. theta energy: -3.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -64.047222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.047222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.047222 (E_RNA)
where:
Base-Base interactions energy: -21.414
where: short stacking energy: -21.414
Base-Backbone interact. energy: -0.075
local terms energy: -42.557826
where:
bonds (distance) C4'-P energy: -9.415
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -6.796
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -4.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -138.060709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.060709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.060709 (E_RNA)
where:
Base-Base interactions energy: -77.491
where: short stacking energy: -44.548
Base-Backbone interact. energy: -0.119
local terms energy: -60.450117
where:
bonds (distance) C4'-P energy: -12.921
bonds (distance) P-C4' energy: -10.872
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -14.441
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: 2, replica: 4
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -131.110581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.110581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.110581 (E_RNA)
where:
Base-Base interactions energy: -75.186
where: short stacking energy: -42.588
Base-Backbone interact. energy: -0.068
local terms energy: -55.855865
where:
bonds (distance) C4'-P energy: -12.420
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -10.592
flat angles P-C4'-P energy: -7.576
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: 3, replica: 8
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -123.421741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.421741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.421741 (E_RNA)
where:
Base-Base interactions energy: -70.091
where: short stacking energy: -41.530
Base-Backbone interact. energy: 0.668
local terms energy: -53.998635
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -10.110
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: -9.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -127.097659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.097659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.097659 (E_RNA)
where:
Base-Base interactions energy: -74.456
where: short stacking energy: -39.462
Base-Backbone interact. energy: 0.577
local terms energy: -53.219122
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -5.908
tors. eta vs tors. theta energy: -11.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -88.146540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.146540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.146540 (E_RNA)
where:
Base-Base interactions energy: -45.708
where: short stacking energy: -45.708
Base-Backbone interact. energy: -0.000
local terms energy: -42.438736
where:
bonds (distance) C4'-P energy: -7.999
bonds (distance) P-C4' energy: -9.672
flat angles C4'-P-C4' energy: -9.181
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -6.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -87.351664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.351664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.351664 (E_RNA)
where:
Base-Base interactions energy: -34.036
where: short stacking energy: -34.036
Base-Backbone interact. energy: 0.021
local terms energy: -53.336518
where:
bonds (distance) C4'-P energy: -10.350
bonds (distance) P-C4' energy: -10.135
flat angles C4'-P-C4' energy: -10.109
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -12.329
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: 2
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -87.635075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.635075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.635075 (E_RNA)
where:
Base-Base interactions energy: -30.379
where: short stacking energy: -30.379
Base-Backbone interact. energy: -0.024
local terms energy: -57.231937
where:
bonds (distance) C4'-P energy: -11.936
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -9.195
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -11.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -70.887277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.887277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.887277 (E_RNA)
where:
Base-Base interactions energy: -26.704
where: short stacking energy: -26.704
Base-Backbone interact. energy: -0.012
local terms energy: -44.171963
where:
bonds (distance) C4'-P energy: -10.022
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -8.732
flat angles P-C4'-P energy: -6.331
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: 9, replica: 1
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -65.674963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.674963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.674963 (E_RNA)
where:
Base-Base interactions energy: -24.126
where: short stacking energy: -24.126
Base-Backbone interact. energy: -0.008
local terms energy: -41.541380
where:
bonds (distance) C4'-P energy: -10.643
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -5.407
tors. eta vs tors. theta energy: -2.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -73.841481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.841481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.841481 (E_RNA)
where:
Base-Base interactions energy: -38.062
where: short stacking energy: -31.697
Base-Backbone interact. energy: -0.861
local terms energy: -34.918903
where:
bonds (distance) C4'-P energy: -9.916
bonds (distance) P-C4' energy: -7.925
flat angles C4'-P-C4' energy: -8.166
flat angles P-C4'-P energy: -4.794
tors. eta vs tors. theta energy: -4.118
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: 5
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -150.503993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.503993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.503993 (E_RNA)
where:
Base-Base interactions energy: -92.813
where: short stacking energy: -53.051
Base-Backbone interact. energy: -0.150
local terms energy: -57.541000
where:
bonds (distance) C4'-P energy: -9.087
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -6.616
tors. eta vs tors. theta energy: -16.077
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: 8
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -127.394239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.394239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.394239 (E_RNA)
where:
Base-Base interactions energy: -78.275
where: short stacking energy: -44.295
Base-Backbone interact. energy: -0.027
local terms energy: -49.092419
where:
bonds (distance) C4'-P energy: -9.117
bonds (distance) P-C4' energy: -10.314
flat angles C4'-P-C4' energy: -10.734
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -10.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -129.825990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.825990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.825990 (E_RNA)
where:
Base-Base interactions energy: -73.852
where: short stacking energy: -39.728
Base-Backbone interact. energy: -0.609
local terms energy: -55.365316
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -6.533
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: 4, replica: 7
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -90.796543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.796543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.796543 (E_RNA)
where:
Base-Base interactions energy: -38.523
where: short stacking energy: -38.523
Base-Backbone interact. energy: -0.000
local terms energy: -52.273833
where:
bonds (distance) C4'-P energy: -10.313
bonds (distance) P-C4' energy: -11.236
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -9.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -108.217041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.217041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.217041 (E_RNA)
where:
Base-Base interactions energy: -65.564
where: short stacking energy: -36.819
Base-Backbone interact. energy: -0.208
local terms energy: -42.445316
where:
bonds (distance) C4'-P energy: -11.145
bonds (distance) P-C4' energy: -11.678
flat angles C4'-P-C4' energy: -5.622
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -6.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -91.586035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.586035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.586035 (E_RNA)
where:
Base-Base interactions energy: -38.817
where: short stacking energy: -37.946
Base-Backbone interact. energy: -0.076
local terms energy: -52.693170
where:
bonds (distance) C4'-P energy: -11.389
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -10.129
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -9.648
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: 95
Temperature: 1.200000
Total energy: -75.799988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.799988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.799988 (E_RNA)
where:
Base-Base interactions energy: -27.742
where: short stacking energy: -27.742
Base-Backbone interact. energy: -0.162
local terms energy: -47.895799
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -10.200
flat angles C4'-P-C4' energy: -11.451
flat angles P-C4'-P energy: -5.832
tors. eta vs tors. theta energy: -8.288
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: 1
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -76.104811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.104811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.104811 (E_RNA)
where:
Base-Base interactions energy: -34.135
where: short stacking energy: -34.135
Base-Backbone interact. energy: -0.076
local terms energy: -41.893460
where:
bonds (distance) C4'-P energy: -8.726
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -11.061
flat angles P-C4'-P energy: -3.523
tors. eta vs tors. theta energy: -5.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -75.194587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.194587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.194587 (E_RNA)
where:
Base-Base interactions energy: -27.599
where: short stacking energy: -27.378
Base-Backbone interact. energy: -0.003
local terms energy: -47.592974
where:
bonds (distance) C4'-P energy: -10.449
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -10.907
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -6.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -64.460281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.460281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.460281 (E_RNA)
where:
Base-Base interactions energy: -23.474
where: short stacking energy: -22.494
Base-Backbone interact. energy: -0.103
local terms energy: -40.883182
where:
bonds (distance) C4'-P energy: -8.285
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -8.293
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -2.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -133.077593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.077593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.077593 (E_RNA)
where:
Base-Base interactions energy: -82.026
where: short stacking energy: -49.748
Base-Backbone interact. energy: -0.040
local terms energy: -51.011045
where:
bonds (distance) C4'-P energy: -9.286
bonds (distance) P-C4' energy: -10.102
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -6.497
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: 2, replica: 5
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -142.985804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.985804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.985804 (E_RNA)
where:
Base-Base interactions energy: -82.945
where: short stacking energy: -52.725
Base-Backbone interact. energy: -0.250
local terms energy: -59.790873
where:
bonds (distance) C4'-P energy: -9.815
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -10.918
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -16.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -120.305450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.305450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.305450 (E_RNA)
where:
Base-Base interactions energy: -78.318
where: short stacking energy: -46.367
Base-Backbone interact. energy: -0.169
local terms energy: -41.817746
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -10.869
flat angles C4'-P-C4' energy: -5.724
flat angles P-C4'-P energy: -5.213
tors. eta vs tors. theta energy: -8.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -80.885694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.885694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.885694 (E_RNA)
where:
Base-Base interactions energy: -34.661
where: short stacking energy: -31.091
Base-Backbone interact. energy: 0.484
local terms energy: -46.708851
where:
bonds (distance) C4'-P energy: -9.857
bonds (distance) P-C4' energy: -11.777
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -6.202
tors. eta vs tors. theta energy: -5.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -88.578293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.578293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.578293 (E_RNA)
where:
Base-Base interactions energy: -36.613
where: short stacking energy: -36.613
Base-Backbone interact. energy: -0.044
local terms energy: -51.921511
where:
bonds (distance) C4'-P energy: -9.692
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -6.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -76.179422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.179422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.179422 (E_RNA)
where:
Base-Base interactions energy: -35.870
where: short stacking energy: -35.870
Base-Backbone interact. energy: 2.498
local terms energy: -42.806983
where:
bonds (distance) C4'-P energy: -12.238
bonds (distance) P-C4' energy: -7.851
flat angles C4'-P-C4' energy: -6.347
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -8.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -86.667801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.667801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.667801 (E_RNA)
where:
Base-Base interactions energy: -36.792
where: short stacking energy: -36.792
Base-Backbone interact. energy: -0.010
local terms energy: -49.866010
where:
bonds (distance) C4'-P energy: -6.951
bonds (distance) P-C4' energy: -11.643
flat angles C4'-P-C4' energy: -10.820
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -10.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -73.477381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.477381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.477381 (E_RNA)
where:
Base-Base interactions energy: -30.952
where: short stacking energy: -30.952
Base-Backbone interact. energy: -0.001
local terms energy: -42.524507
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -10.629
flat angles C4'-P-C4' energy: -11.419
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -2.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -60.587253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.587253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.587253 (E_RNA)
where:
Base-Base interactions energy: -18.115
where: short stacking energy: -18.115
Base-Backbone interact. energy: -0.015
local terms energy: -42.457303
where:
bonds (distance) C4'-P energy: -10.374
bonds (distance) P-C4' energy: -11.190
flat angles C4'-P-C4' energy: -8.781
flat angles P-C4'-P energy: -5.827
tors. eta vs tors. theta energy: -6.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -65.108002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.108002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.108002 (E_RNA)
where:
Base-Base interactions energy: -24.784
where: short stacking energy: -24.607
Base-Backbone interact. energy: -0.130
local terms energy: -40.193556
where:
bonds (distance) C4'-P energy: -5.325
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -9.965
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -4.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -138.923757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.923757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.923757 (E_RNA)
where:
Base-Base interactions energy: -81.964
where: short stacking energy: -46.949
Base-Backbone interact. energy: -0.037
local terms energy: -56.923531
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -10.372
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: -13.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -132.581075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.581075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.581075 (E_RNA)
where:
Base-Base interactions energy: -75.089
where: short stacking energy: -42.555
Base-Backbone interact. energy: -0.136
local terms energy: -57.356325
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -9.476
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -12.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -126.140542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.140542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.140542 (E_RNA)
where:
Base-Base interactions energy: -69.040
where: short stacking energy: -35.109
Base-Backbone interact. energy: -0.114
local terms energy: -56.986569
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -6.918
tors. eta vs tors. theta energy: -12.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -80.851533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.851533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.851533 (E_RNA)
where:
Base-Base interactions energy: -38.711
where: short stacking energy: -38.711
Base-Backbone interact. energy: -0.011
local terms energy: -42.129702
where:
bonds (distance) C4'-P energy: -7.718
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -11.555
flat angles P-C4'-P energy: -2.189
tors. eta vs tors. theta energy: -8.315
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: 5, replica: 7
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -74.491037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.491037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.491037 (E_RNA)
where:
Base-Base interactions energy: -29.054
where: short stacking energy: -29.054
Base-Backbone interact. energy: -0.154
local terms energy: -45.282766
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -10.531
flat angles C4'-P-C4' energy: -8.838
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -5.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -79.709273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.709273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.709273 (E_RNA)
where:
Base-Base interactions energy: -29.576
where: short stacking energy: -29.576
Base-Backbone interact. energy: -0.001
local terms energy: -50.132762
where:
bonds (distance) C4'-P energy: -11.232
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -5.337
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: 7, replica: 9
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -74.721293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.721293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.721293 (E_RNA)
where:
Base-Base interactions energy: -31.325
where: short stacking energy: -30.704
Base-Backbone interact. energy: -0.122
local terms energy: -43.274324
where:
bonds (distance) C4'-P energy: -9.066
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -7.451
flat angles P-C4'-P energy: -4.935
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: 8, replica: 3
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -72.060138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.060138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.060138 (E_RNA)
where:
Base-Base interactions energy: -23.948
where: short stacking energy: -23.948
Base-Backbone interact. energy: 1.625
local terms energy: -49.737180
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -9.917
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -5.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -71.632810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.632810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.632810 (E_RNA)
where:
Base-Base interactions energy: -26.396
where: short stacking energy: -26.396
Base-Backbone interact. energy: -0.111
local terms energy: -45.126512
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -10.608
flat angles C4'-P-C4' energy: -7.335
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -6.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -55.485347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.485347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.485347 (E_RNA)
where:
Base-Base interactions energy: -17.768
where: short stacking energy: -17.768
Base-Backbone interact. energy: -0.081
local terms energy: -37.636265
where:
bonds (distance) C4'-P energy: -8.355
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -5.754
flat angles P-C4'-P energy: -5.652
tors. eta vs tors. theta energy: -5.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -137.406417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.406417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.406417 (E_RNA)
where:
Base-Base interactions energy: -82.660
where: short stacking energy: -51.219
Base-Backbone interact. energy: -0.001
local terms energy: -54.744973
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -9.946
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -11.494
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: 8
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -135.605084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.605084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.605084 (E_RNA)
where:
Base-Base interactions energy: -75.068
where: short stacking energy: -47.672
Base-Backbone interact. energy: -0.239
local terms energy: -60.298122
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -6.797
tors. eta vs tors. theta energy: -15.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -128.811220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.811220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.811220 (E_RNA)
where:
Base-Base interactions energy: -73.298
where: short stacking energy: -37.933
Base-Backbone interact. energy: -0.006
local terms energy: -55.507169
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -9.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -78.590548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.590548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.590548 (E_RNA)
where:
Base-Base interactions energy: -30.622
where: short stacking energy: -30.622
Base-Backbone interact. energy: -0.153
local terms energy: -47.815532
where:
bonds (distance) C4'-P energy: -7.861
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -10.311
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -7.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -74.814447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.814447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.814447 (E_RNA)
where:
Base-Base interactions energy: -33.892
where: short stacking energy: -33.892
Base-Backbone interact. energy: -0.111
local terms energy: -40.811803
where:
bonds (distance) C4'-P energy: -8.065
bonds (distance) P-C4' energy: -9.295
flat angles C4'-P-C4' energy: -9.926
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -7.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -85.257167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.257167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.257167 (E_RNA)
where:
Base-Base interactions energy: -38.394
where: short stacking energy: -38.394
Base-Backbone interact. energy: -0.073
local terms energy: -46.790325
where:
bonds (distance) C4'-P energy: -9.869
bonds (distance) P-C4' energy: -7.865
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -8.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -71.716698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.716698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.716698 (E_RNA)
where:
Base-Base interactions energy: -23.444
where: short stacking energy: -23.544
Base-Backbone interact. energy: -0.082
local terms energy: -48.190977
where:
bonds (distance) C4'-P energy: -10.548
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -5.279
tors. eta vs tors. theta energy: -5.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -71.839455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.839455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.839455 (E_RNA)
where:
Base-Base interactions energy: -26.930
where: short stacking energy: -26.930
Base-Backbone interact. energy: 0.666
local terms energy: -45.575890
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -1.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -63.407066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.407066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.407066 (E_RNA)
where:
Base-Base interactions energy: -20.815
where: short stacking energy: -20.815
Base-Backbone interact. energy: -0.062
local terms energy: -42.529367
where:
bonds (distance) C4'-P energy: -9.009
bonds (distance) P-C4' energy: -11.019
flat angles C4'-P-C4' energy: -9.905
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -3.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -65.047383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.047383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.047383 (E_RNA)
where:
Base-Base interactions energy: -20.820
where: short stacking energy: -11.440
Base-Backbone interact. energy: 0.138
local terms energy: -44.364911
where:
bonds (distance) C4'-P energy: -12.043
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -5.689
tors. eta vs tors. theta energy: -1.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -144.900352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.900352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.900352 (E_RNA)
where:
Base-Base interactions energy: -83.238
where: short stacking energy: -50.000
Base-Backbone interact. energy: -0.096
local terms energy: -61.567187
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -8.421
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: 2, replica: 8
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -137.544867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.544867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.544867 (E_RNA)
where:
Base-Base interactions energy: -77.330
where: short stacking energy: -46.045
Base-Backbone interact. energy: -0.011
local terms energy: -60.203825
where:
bonds (distance) C4'-P energy: -12.705
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -12.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -118.347404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.347404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.347404 (E_RNA)
where:
Base-Base interactions energy: -69.559
where: short stacking energy: -37.846
Base-Backbone interact. energy: -0.007
local terms energy: -48.780958
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -10.486
flat angles C4'-P-C4' energy: -11.272
flat angles P-C4'-P energy: -6.751
tors. eta vs tors. theta energy: -8.361
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: 4, replica: 1
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -82.587557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.587557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.587557 (E_RNA)
where:
Base-Base interactions energy: -32.038
where: short stacking energy: -30.838
Base-Backbone interact. energy: -0.054
local terms energy: -50.496062
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -4.519
tors. eta vs tors. theta energy: -9.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -82.379476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.379476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.379476 (E_RNA)
where:
Base-Base interactions energy: -35.926
where: short stacking energy: -35.926
Base-Backbone interact. energy: -0.143
local terms energy: -46.310711
where:
bonds (distance) C4'-P energy: -7.443
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -9.667
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -5.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -75.118576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.118576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.118576 (E_RNA)
where:
Base-Base interactions energy: -29.862
where: short stacking energy: -29.862
Base-Backbone interact. energy: -0.111
local terms energy: -45.145311
where:
bonds (distance) C4'-P energy: -9.349
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -11.606
flat angles P-C4'-P energy: -7.047
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: 7, replica: 7
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -68.208167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.208167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.208167 (E_RNA)
where:
Base-Base interactions energy: -24.841
where: short stacking energy: -24.841
Base-Backbone interact. energy: -0.032
local terms energy: -43.334820
where:
bonds (distance) C4'-P energy: -10.362
bonds (distance) P-C4' energy: -10.562
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -4.505
tors. eta vs tors. theta energy: -5.783
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: 8, replica: 10
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -77.476293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.476293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.476293 (E_RNA)
where:
Base-Base interactions energy: -30.244
where: short stacking energy: -30.244
Base-Backbone interact. energy: -0.111
local terms energy: -47.121707
where:
bonds (distance) C4'-P energy: -10.934
bonds (distance) P-C4' energy: -10.031
flat angles C4'-P-C4' energy: -10.050
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -7.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -79.855536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.855536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.855536 (E_RNA)
where:
Base-Base interactions energy: -42.949
where: short stacking energy: -20.706
Base-Backbone interact. energy: -0.158
local terms energy: -36.748255
where:
bonds (distance) C4'-P energy: -9.439
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -10.536
flat angles P-C4'-P energy: -5.546
tors. eta vs tors. theta energy: -0.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -66.711103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.711103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.711103 (E_RNA)
where:
Base-Base interactions energy: -19.331
where: short stacking energy: -19.331
Base-Backbone interact. energy: -0.242
local terms energy: -47.137185
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -12.540
flat angles C4'-P-C4' energy: -10.232
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -2.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -136.927610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.927610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.927610 (E_RNA)
where:
Base-Base interactions energy: -77.449
where: short stacking energy: -46.974
Base-Backbone interact. energy: -0.042
local terms energy: -59.436544
where:
bonds (distance) C4'-P energy: -10.140
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -10.123
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -15.564
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: 8
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -139.875451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.875451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.875451 (E_RNA)
where:
Base-Base interactions energy: -82.224
where: short stacking energy: -43.998
Base-Backbone interact. energy: 1.482
local terms energy: -59.132911
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -14.793
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: 4
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -118.361177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.361177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.361177 (E_RNA)
where:
Base-Base interactions energy: -66.942
where: short stacking energy: -41.080
Base-Backbone interact. energy: -0.003
local terms energy: -51.416285
where:
bonds (distance) C4'-P energy: -6.537
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -11.087
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -12.388
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: 100
Temperature: 1.050000
Total energy: -80.032601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.032601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.032601 (E_RNA)
where:
Base-Base interactions energy: -34.582
where: short stacking energy: -25.757
Base-Backbone interact. energy: -0.018
local terms energy: -45.431891
where:
bonds (distance) C4'-P energy: -10.606
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -10.369
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -4.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -79.949855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.949855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.949855 (E_RNA)
where:
Base-Base interactions energy: -29.484
where: short stacking energy: -29.484
Base-Backbone interact. energy: -0.540
local terms energy: -49.925470
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -9.152
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -5.826
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: 6, replica: 6
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -77.036889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.036889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.036889 (E_RNA)
where:
Base-Base interactions energy: -40.437
where: short stacking energy: -29.539
Base-Backbone interact. energy: -0.015
local terms energy: -36.584678
where:
bonds (distance) C4'-P energy: -6.845
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -7.987
flat angles P-C4'-P energy: -6.990
tors. eta vs tors. theta energy: -1.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -68.158444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.158444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.158444 (E_RNA)
where:
Base-Base interactions energy: -29.941
where: short stacking energy: -29.941
Base-Backbone interact. energy: 0.364
local terms energy: -38.581523
where:
bonds (distance) C4'-P energy: -8.242
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -6.609
flat angles P-C4'-P energy: -5.612
tors. eta vs tors. theta energy: -5.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -74.318545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.318545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.318545 (E_RNA)
where:
Base-Base interactions energy: -32.569
where: short stacking energy: -32.569
Base-Backbone interact. energy: -0.095
local terms energy: -41.655287
where:
bonds (distance) C4'-P energy: -8.355
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -10.985
flat angles P-C4'-P energy: -2.185
tors. eta vs tors. theta energy: -8.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -62.363545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.363545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.363545 (E_RNA)
where:
Base-Base interactions energy: -26.435
where: short stacking energy: -26.435
Base-Backbone interact. energy: -0.101
local terms energy: -35.827293
where:
bonds (distance) C4'-P energy: -3.688
bonds (distance) P-C4' energy: -11.820
flat angles C4'-P-C4' energy: -7.574
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -3.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -66.913476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.913476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.913476 (E_RNA)
where:
Base-Base interactions energy: -29.275
where: short stacking energy: -25.277
Base-Backbone interact. energy: -0.033
local terms energy: -37.605301
where:
bonds (distance) C4'-P energy: -7.386
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -6.274
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -2.820
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: 1, replica: 5
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -136.842049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.842049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.842049 (E_RNA)
where:
Base-Base interactions energy: -81.068
where: short stacking energy: -46.707
Base-Backbone interact. energy: 0.419
local terms energy: -56.192966
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -10.828
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -6.393
tors. eta vs tors. theta energy: -13.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -137.094233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.094233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.094233 (E_RNA)
where:
Base-Base interactions energy: -77.562
where: short stacking energy: -43.253
Base-Backbone interact. energy: -0.005
local terms energy: -59.526684
where:
bonds (distance) C4'-P energy: -11.886
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -7.275
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: 3, replica: 8
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -132.488886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.488886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.488886 (E_RNA)
where:
Base-Base interactions energy: -75.575
where: short stacking energy: -48.005
Base-Backbone interact. energy: -0.044
local terms energy: -56.869906
where:
bonds (distance) C4'-P energy: -9.638
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -10.135
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -13.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -100.736075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.736075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.736075 (E_RNA)
where:
Base-Base interactions energy: -45.533
where: short stacking energy: -45.533
Base-Backbone interact. energy: -0.001
local terms energy: -55.202149
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -3.144
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: 1
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -84.106397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.106397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.106397 (E_RNA)
where:
Base-Base interactions energy: -31.117
where: short stacking energy: -31.117
Base-Backbone interact. energy: -0.006
local terms energy: -52.983499
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -8.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -77.494346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.494346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.494346 (E_RNA)
where:
Base-Base interactions energy: -31.427
where: short stacking energy: -31.427
Base-Backbone interact. energy: -0.001
local terms energy: -46.066524
where:
bonds (distance) C4'-P energy: -7.171
bonds (distance) P-C4' energy: -11.712
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -6.256
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: 7, replica: 6
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -67.606214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.606214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.606214 (E_RNA)
where:
Base-Base interactions energy: -25.306
where: short stacking energy: -22.918
Base-Backbone interact. energy: 0.203
local terms energy: -42.502948
where:
bonds (distance) C4'-P energy: -8.264
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -10.003
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -1.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -86.299195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.299195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.299195 (E_RNA)
where:
Base-Base interactions energy: -37.312
where: short stacking energy: -37.312
Base-Backbone interact. energy: -0.030
local terms energy: -48.956888
where:
bonds (distance) C4'-P energy: -10.507
bonds (distance) P-C4' energy: -11.450
flat angles C4'-P-C4' energy: -9.499
flat angles P-C4'-P energy: -4.872
tors. eta vs tors. theta energy: -12.630
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: 7
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -59.606867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.606867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.606867 (E_RNA)
where:
Base-Base interactions energy: -22.631
where: short stacking energy: -22.631
Base-Backbone interact. energy: -0.029
local terms energy: -36.947531
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -9.523
flat angles C4'-P-C4' energy: -9.758
flat angles P-C4'-P energy: -4.191
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: 9
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -59.460520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.460520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.460520 (E_RNA)
where:
Base-Base interactions energy: -19.515
where: short stacking energy: -19.515
Base-Backbone interact. energy: -0.229
local terms energy: -39.716995
where:
bonds (distance) C4'-P energy: -6.078
bonds (distance) P-C4' energy: -10.371
flat angles C4'-P-C4' energy: -8.093
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -6.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -136.164338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.164338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.164338 (E_RNA)
where:
Base-Base interactions energy: -79.823
where: short stacking energy: -48.809
Base-Backbone interact. energy: -0.045
local terms energy: -56.296492
where:
bonds (distance) C4'-P energy: -11.514
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -13.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -128.372307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.372307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.372307 (E_RNA)
where:
Base-Base interactions energy: -75.872
where: short stacking energy: -47.638
Base-Backbone interact. energy: -0.173
local terms energy: -52.327144
where:
bonds (distance) C4'-P energy: -3.945
bonds (distance) P-C4' energy: -12.513
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -12.430
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: 3, replica: 8
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -138.840917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.840917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.840917 (E_RNA)
where:
Base-Base interactions energy: -83.299
where: short stacking energy: -49.874
Base-Backbone interact. energy: -0.040
local terms energy: -55.501370
where:
bonds (distance) C4'-P energy: -10.123
bonds (distance) P-C4' energy: -10.856
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: -14.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -81.174216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.174216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.174216 (E_RNA)
where:
Base-Base interactions energy: -34.788
where: short stacking energy: -34.788
Base-Backbone interact. energy: -0.066
local terms energy: -46.320212
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -10.454
flat angles C4'-P-C4' energy: -11.805
flat angles P-C4'-P energy: -4.198
tors. eta vs tors. theta energy: -7.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -85.169337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.169337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.169337 (E_RNA)
where:
Base-Base interactions energy: -31.827
where: short stacking energy: -30.782
Base-Backbone interact. energy: -0.100
local terms energy: -53.241913
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -10.092
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -8.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -76.411154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.411154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.411154 (E_RNA)
where:
Base-Base interactions energy: -29.587
where: short stacking energy: -29.587
Base-Backbone interact. energy: -0.124
local terms energy: -46.700509
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -10.660
flat angles C4'-P-C4' energy: -8.908
flat angles P-C4'-P energy: -6.505
tors. eta vs tors. theta energy: -8.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -73.196077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.196077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.196077 (E_RNA)
where:
Base-Base interactions energy: -28.248
where: short stacking energy: -28.248
Base-Backbone interact. energy: -0.046
local terms energy: -44.901712
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -10.161
flat angles C4'-P-C4' energy: -11.102
flat angles P-C4'-P energy: -6.005
tors. eta vs tors. theta energy: -7.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -79.350628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.350628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.350628 (E_RNA)
where:
Base-Base interactions energy: -33.212
where: short stacking energy: -31.462
Base-Backbone interact. energy: -0.148
local terms energy: -45.990696
where:
bonds (distance) C4'-P energy: -8.897
bonds (distance) P-C4' energy: -11.142
flat angles C4'-P-C4' energy: -9.840
flat angles P-C4'-P energy: -5.497
tors. eta vs tors. theta energy: -10.614
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: 9
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -67.273178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.273178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.273178 (E_RNA)
where:
Base-Base interactions energy: -22.848
where: short stacking energy: -21.637
Base-Backbone interact. energy: -0.103
local terms energy: -44.322336
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -8.166
flat angles C4'-P-C4' energy: -9.783
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -6.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -68.564454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.564454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.564454 (E_RNA)
where:
Base-Base interactions energy: -19.075
where: short stacking energy: -19.075
Base-Backbone interact. energy: -0.001
local terms energy: -49.488827
where:
bonds (distance) C4'-P energy: -12.896
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -9.692
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -7.760
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: 1, replica: 4
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -132.669197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.669197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.669197 (E_RNA)
where:
Base-Base interactions energy: -75.085
where: short stacking energy: -41.123
Base-Backbone interact. energy: -0.212
local terms energy: -57.371452
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -11.625
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -12.272
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: 2, replica: 8
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -128.688059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.688059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.688059 (E_RNA)
where:
Base-Base interactions energy: -71.534
where: short stacking energy: -42.529
Base-Backbone interact. energy: -0.002
local terms energy: -57.151988
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -10.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -128.580870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.580870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.580870 (E_RNA)
where:
Base-Base interactions energy: -78.507
where: short stacking energy: -44.085
Base-Backbone interact. energy: -0.196
local terms energy: -49.877606
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -11.029
flat angles C4'-P-C4' energy: -9.502
flat angles P-C4'-P energy: -6.059
tors. eta vs tors. theta energy: -11.572
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: 3
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -104.918632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.918632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.918632 (E_RNA)
where:
Base-Base interactions energy: -48.867
where: short stacking energy: -48.867
Base-Backbone interact. energy: -0.000
local terms energy: -56.051980
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -10.433
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -14.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -82.810461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.810461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.810461 (E_RNA)
where:
Base-Base interactions energy: -32.369
where: short stacking energy: -32.369
Base-Backbone interact. energy: -0.029
local terms energy: -50.412863
where:
bonds (distance) C4'-P energy: -6.768
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -8.486
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: 103
Temperature: 1.150000
Total energy: -80.079495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.079495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.079495 (E_RNA)
where:
Base-Base interactions energy: -31.605
where: short stacking energy: -31.605
Base-Backbone interact. energy: -0.000
local terms energy: -48.473921
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -10.700
flat angles P-C4'-P energy: -7.349
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: 7, replica: 1
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -69.825531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.825531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.825531 (E_RNA)
where:
Base-Base interactions energy: -25.500
where: short stacking energy: -25.500
Base-Backbone interact. energy: -0.021
local terms energy: -44.304482
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -7.360
flat angles P-C4'-P energy: -5.563
tors. eta vs tors. theta energy: -8.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -74.632659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.632659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.632659 (E_RNA)
where:
Base-Base interactions energy: -33.458
where: short stacking energy: -33.458
Base-Backbone interact. energy: -0.075
local terms energy: -41.099489
where:
bonds (distance) C4'-P energy: -8.802
bonds (distance) P-C4' energy: -14.929
flat angles C4'-P-C4' energy: -4.244
flat angles P-C4'-P energy: -5.979
tors. eta vs tors. theta energy: -7.145
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: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -70.508231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.508231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.508231 (E_RNA)
where:
Base-Base interactions energy: -22.480
where: short stacking energy: -22.364
Base-Backbone interact. energy: -0.036
local terms energy: -47.992215
where:
bonds (distance) C4'-P energy: -11.765
bonds (distance) P-C4' energy: -11.589
flat angles C4'-P-C4' energy: -11.205
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -2.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -64.229733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.229733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.229733 (E_RNA)
where:
Base-Base interactions energy: -31.850
where: short stacking energy: -31.850
Base-Backbone interact. energy: -0.057
local terms energy: -32.322779
where:
bonds (distance) C4'-P energy: -8.029
bonds (distance) P-C4' energy: -6.496
flat angles C4'-P-C4' energy: -9.827
flat angles P-C4'-P energy: -5.742
tors. eta vs tors. theta energy: -2.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -143.223429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.223429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.223429 (E_RNA)
where:
Base-Base interactions energy: -84.398
where: short stacking energy: -50.949
Base-Backbone interact. energy: -0.018
local terms energy: -58.807587
where:
bonds (distance) C4'-P energy: -7.948
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -9.344
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: 2, replica: 4
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -144.928564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.928564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.928564 (E_RNA)
where:
Base-Base interactions energy: -85.736
where: short stacking energy: -54.588
Base-Backbone interact. energy: -0.057
local terms energy: -59.136262
where:
bonds (distance) C4'-P energy: -11.207
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -7.474
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: 3, replica: 3
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -99.194635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.194635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.194635 (E_RNA)
where:
Base-Base interactions energy: -46.337
where: short stacking energy: -46.337
Base-Backbone interact. energy: -0.000
local terms energy: -52.857838
where:
bonds (distance) C4'-P energy: -10.404
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -4.681
tors. eta vs tors. theta energy: -13.920
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: 5
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -114.850515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.850515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.850515 (E_RNA)
where:
Base-Base interactions energy: -68.352
where: short stacking energy: -33.363
Base-Backbone interact. energy: -0.198
local terms energy: -46.300811
where:
bonds (distance) C4'-P energy: -10.681
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -11.358
flat angles P-C4'-P energy: -5.114
tors. eta vs tors. theta energy: -6.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -79.470045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.470045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.470045 (E_RNA)
where:
Base-Base interactions energy: -32.333
where: short stacking energy: -30.500
Base-Backbone interact. energy: 0.079
local terms energy: -47.216880
where:
bonds (distance) C4'-P energy: -8.168
bonds (distance) P-C4' energy: -14.932
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -4.363
tors. eta vs tors. theta energy: -7.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -76.347151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.347151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.347151 (E_RNA)
where:
Base-Base interactions energy: -32.277
where: short stacking energy: -32.277
Base-Backbone interact. energy: -0.370
local terms energy: -43.700179
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -11.491
flat angles C4'-P-C4' energy: -9.076
flat angles P-C4'-P energy: -6.034
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: 7, replica: 9
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -73.030085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.030085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.030085 (E_RNA)
where:
Base-Base interactions energy: -31.796
where: short stacking energy: -31.796
Base-Backbone interact. energy: -0.056
local terms energy: -41.178458
where:
bonds (distance) C4'-P energy: -9.153
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -6.600
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -5.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -71.009182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.009182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.009182 (E_RNA)
where:
Base-Base interactions energy: -30.244
where: short stacking energy: -30.244
Base-Backbone interact. energy: -0.390
local terms energy: -40.375501
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -11.668
flat angles C4'-P-C4' energy: -4.525
flat angles P-C4'-P energy: -4.274
tors. eta vs tors. theta energy: -8.374
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: 9, replica: 7
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -65.715708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.715708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.715708 (E_RNA)
where:
Base-Base interactions energy: -26.522
where: short stacking energy: -25.497
Base-Backbone interact. energy: -0.049
local terms energy: -39.144653
where:
bonds (distance) C4'-P energy: -10.093
bonds (distance) P-C4' energy: -11.120
flat angles C4'-P-C4' energy: -8.369
flat angles P-C4'-P energy: -6.440
tors. eta vs tors. theta energy: -3.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -55.366333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.366333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.366333 (E_RNA)
where:
Base-Base interactions energy: -22.575
where: short stacking energy: -22.575
Base-Backbone interact. energy: 0.361
local terms energy: -33.152208
where:
bonds (distance) C4'-P energy: -9.837
bonds (distance) P-C4' energy: -9.979
flat angles C4'-P-C4' energy: -10.096
flat angles P-C4'-P energy: -2.283
tors. eta vs tors. theta energy: -0.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -140.826867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.826867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.826867 (E_RNA)
where:
Base-Base interactions energy: -82.289
where: short stacking energy: -54.739
Base-Backbone interact. energy: -0.116
local terms energy: -58.421955
where:
bonds (distance) C4'-P energy: -10.541
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -5.415
tors. eta vs tors. theta energy: -15.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -151.897613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.897613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.897613 (E_RNA)
where:
Base-Base interactions energy: -88.652
where: short stacking energy: -54.039
Base-Backbone interact. energy: 0.123
local terms energy: -63.368014
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -16.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -93.058583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.058583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.058583 (E_RNA)
where:
Base-Base interactions energy: -38.123
where: short stacking energy: -38.123
Base-Backbone interact. energy: -0.001
local terms energy: -54.934934
where:
bonds (distance) C4'-P energy: -8.371
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -12.348
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: 5
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -126.607806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.607806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.607806 (E_RNA)
where:
Base-Base interactions energy: -74.800
where: short stacking energy: -47.103
Base-Backbone interact. energy: -0.366
local terms energy: -51.441976
where:
bonds (distance) C4'-P energy: -10.044
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -5.866
tors. eta vs tors. theta energy: -10.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -85.240398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.240398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.240398 (E_RNA)
where:
Base-Base interactions energy: -36.835
where: short stacking energy: -36.835
Base-Backbone interact. energy: 0.335
local terms energy: -48.741131
where:
bonds (distance) C4'-P energy: -12.598
bonds (distance) P-C4' energy: -10.439
flat angles C4'-P-C4' energy: -8.237
flat angles P-C4'-P energy: -6.030
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: 6, replica: 9
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -84.434317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.434317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.434317 (E_RNA)
where:
Base-Base interactions energy: -43.759
where: short stacking energy: -27.760
Base-Backbone interact. energy: 0.106
local terms energy: -40.781460
where:
bonds (distance) C4'-P energy: -10.148
bonds (distance) P-C4' energy: -9.058
flat angles C4'-P-C4' energy: -6.862
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -7.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -62.975840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.975840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.975840 (E_RNA)
where:
Base-Base interactions energy: -22.977
where: short stacking energy: -22.977
Base-Backbone interact. energy: -0.334
local terms energy: -39.665760
where:
bonds (distance) C4'-P energy: -8.069
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -11.452
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -1.298
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: 7
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -69.256172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.256172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.256172 (E_RNA)
where:
Base-Base interactions energy: -22.443
where: short stacking energy: -22.443
Base-Backbone interact. energy: -0.017
local terms energy: -46.795622
where:
bonds (distance) C4'-P energy: -10.706
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -10.219
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -5.332
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: 1
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -67.175859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.175859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.175859 (E_RNA)
where:
Base-Base interactions energy: -27.895
where: short stacking energy: -27.895
Base-Backbone interact. energy: -0.097
local terms energy: -39.184636
where:
bonds (distance) C4'-P energy: -10.202
bonds (distance) P-C4' energy: -10.393
flat angles C4'-P-C4' energy: -7.566
flat angles P-C4'-P energy: -3.345
tors. eta vs tors. theta energy: -7.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -56.463980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.463980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.463980 (E_RNA)
where:
Base-Base interactions energy: -19.909
where: short stacking energy: -19.909
Base-Backbone interact. energy: -0.059
local terms energy: -36.496142
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -10.308
flat angles C4'-P-C4' energy: -8.282
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: 3.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -141.584732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.584732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.584732 (E_RNA)
where:
Base-Base interactions energy: -87.396
where: short stacking energy: -52.869
Base-Backbone interact. energy: -0.094
local terms energy: -54.094557
where:
bonds (distance) C4'-P energy: -9.302
bonds (distance) P-C4' energy: -10.305
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -6.571
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: 2, replica: 8
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -131.526334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.526334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.526334 (E_RNA)
where:
Base-Base interactions energy: -72.010
where: short stacking energy: -45.950
Base-Backbone interact. energy: -0.044
local terms energy: -59.473091
where:
bonds (distance) C4'-P energy: -11.008
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -12.658
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: 3, replica: 5
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -119.441113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.441113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.441113 (E_RNA)
where:
Base-Base interactions energy: -62.746
where: short stacking energy: -38.081
Base-Backbone interact. energy: -0.005
local terms energy: -56.690393
where:
bonds (distance) C4'-P energy: -9.683
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -10.639
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -12.930
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: 4, replica: 3
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -84.580630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.580630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.580630 (E_RNA)
where:
Base-Base interactions energy: -32.776
where: short stacking energy: -28.539
Base-Backbone interact. energy: 0.340
local terms energy: -52.144646
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -5.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -75.910165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.910165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.910165 (E_RNA)
where:
Base-Base interactions energy: -34.247
where: short stacking energy: -34.247
Base-Backbone interact. energy: -0.461
local terms energy: -41.202179
where:
bonds (distance) C4'-P energy: -11.728
bonds (distance) P-C4' energy: -10.589
flat angles C4'-P-C4' energy: -6.246
flat angles P-C4'-P energy: -5.754
tors. eta vs tors. theta energy: -6.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -79.421925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.421925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.421925 (E_RNA)
where:
Base-Base interactions energy: -29.188
where: short stacking energy: -29.188
Base-Backbone interact. energy: -0.028
local terms energy: -50.205666
where:
bonds (distance) C4'-P energy: -10.615
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -10.695
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -6.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -79.324086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.324086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.324086 (E_RNA)
where:
Base-Base interactions energy: -39.031
where: short stacking energy: -39.031
Base-Backbone interact. energy: -0.085
local terms energy: -40.207686
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -10.494
flat angles C4'-P-C4' energy: -8.583
flat angles P-C4'-P energy: -2.993
tors. eta vs tors. theta energy: -6.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -62.433817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.433817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.433817 (E_RNA)
where:
Base-Base interactions energy: -19.163
where: short stacking energy: -19.163
Base-Backbone interact. energy: -0.071
local terms energy: -43.200129
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -10.697
flat angles C4'-P-C4' energy: -10.490
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -0.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -70.130808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.130808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.130808 (E_RNA)
where:
Base-Base interactions energy: -36.311
where: short stacking energy: -15.609
Base-Backbone interact. energy: -0.586
local terms energy: -33.233350
where:
bonds (distance) C4'-P energy: -6.946
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -10.485
flat angles P-C4'-P energy: -5.213
tors. eta vs tors. theta energy: 0.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -55.692818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.692818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.692818 (E_RNA)
where:
Base-Base interactions energy: -21.057
where: short stacking energy: -20.625
Base-Backbone interact. energy: -0.021
local terms energy: -34.614864
where:
bonds (distance) C4'-P energy: -7.311
bonds (distance) P-C4' energy: -11.378
flat angles C4'-P-C4' energy: -9.263
flat angles P-C4'-P energy: -5.665
tors. eta vs tors. theta energy: -0.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -131.364509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.364509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.364509 (E_RNA)
where:
Base-Base interactions energy: -74.186
where: short stacking energy: -41.812
Base-Backbone interact. energy: -0.108
local terms energy: -57.070924
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -10.646
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -13.225
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: 5
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -134.945188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.945188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.945188 (E_RNA)
where:
Base-Base interactions energy: -79.834
where: short stacking energy: -49.132
Base-Backbone interact. energy: -0.014
local terms energy: -55.097126
where:
bonds (distance) C4'-P energy: -8.723
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -10.082
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -14.080
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: 8
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -121.017517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.017517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.017517 (E_RNA)
where:
Base-Base interactions energy: -67.675
where: short stacking energy: -38.438
Base-Backbone interact. energy: -0.020
local terms energy: -53.322684
where:
bonds (distance) C4'-P energy: -11.244
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -10.517
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -8.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -75.650606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.650606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.650606 (E_RNA)
where:
Base-Base interactions energy: -35.525
where: short stacking energy: -35.525
Base-Backbone interact. energy: -0.252
local terms energy: -39.873558
where:
bonds (distance) C4'-P energy: -12.134
bonds (distance) P-C4' energy: -5.041
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -3.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -75.697987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.697987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.697987 (E_RNA)
where:
Base-Base interactions energy: -29.483
where: short stacking energy: -29.483
Base-Backbone interact. energy: -0.023
local terms energy: -46.192551
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -9.244
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: 6, replica: 9
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -83.268467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.268467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.268467 (E_RNA)
where:
Base-Base interactions energy: -27.829
where: short stacking energy: -28.431
Base-Backbone interact. energy: -0.027
local terms energy: -55.413082
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -6.941
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: 7, replica: 7
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -73.037628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.037628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.037628 (E_RNA)
where:
Base-Base interactions energy: -28.320
where: short stacking energy: -28.320
Base-Backbone interact. energy: -0.005
local terms energy: -44.713014
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -10.100
flat angles P-C4'-P energy: -3.172
tors. eta vs tors. theta energy: -6.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -77.425039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.425039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.425039 (E_RNA)
where:
Base-Base interactions energy: -34.836
where: short stacking energy: -21.605
Base-Backbone interact. energy: -0.057
local terms energy: -42.532070
where:
bonds (distance) C4'-P energy: -10.474
bonds (distance) P-C4' energy: -10.210
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -2.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -78.761472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.761472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.761472 (E_RNA)
where:
Base-Base interactions energy: -34.273
where: short stacking energy: -34.273
Base-Backbone interact. energy: 0.280
local terms energy: -44.768895
where:
bonds (distance) C4'-P energy: -7.452
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -9.440
flat angles P-C4'-P energy: -4.843
tors. eta vs tors. theta energy: -9.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -64.899852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.899852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.899852 (E_RNA)
where:
Base-Base interactions energy: -19.060
where: short stacking energy: -19.060
Base-Backbone interact. energy: -0.006
local terms energy: -45.834010
where:
bonds (distance) C4'-P energy: -10.780
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -11.261
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -4.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -128.346046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.346046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.346046 (E_RNA)
where:
Base-Base interactions energy: -73.395
where: short stacking energy: -39.868
Base-Backbone interact. energy: -0.009
local terms energy: -54.941294
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -10.738
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -9.659
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: 2, replica: 4
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -131.626938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.626938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.626938 (E_RNA)
where:
Base-Base interactions energy: -72.953
where: short stacking energy: -43.234
Base-Backbone interact. energy: -0.059
local terms energy: -58.614290
where:
bonds (distance) C4'-P energy: -11.330
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -7.664
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: 8
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -126.794180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.794180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.794180 (E_RNA)
where:
Base-Base interactions energy: -76.715
where: short stacking energy: -51.812
Base-Backbone interact. energy: -0.251
local terms energy: -49.828465
where:
bonds (distance) C4'-P energy: -11.745
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -10.546
flat angles P-C4'-P energy: -6.080
tors. eta vs tors. theta energy: -10.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -77.792291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.792291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.792291 (E_RNA)
where:
Base-Base interactions energy: -32.411
where: short stacking energy: -32.411
Base-Backbone interact. energy: -0.035
local terms energy: -45.346371
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -10.789
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -2.786
tors. eta vs tors. theta energy: -5.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -91.415041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.415041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.415041 (E_RNA)
where:
Base-Base interactions energy: -42.399
where: short stacking energy: -42.399
Base-Backbone interact. energy: -0.001
local terms energy: -49.014552
where:
bonds (distance) C4'-P energy: -6.460
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -10.912
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -9.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -74.052367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.052367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.052367 (E_RNA)
where:
Base-Base interactions energy: -26.031
where: short stacking energy: -26.031
Base-Backbone interact. energy: -0.126
local terms energy: -47.895741
where:
bonds (distance) C4'-P energy: -9.188
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -10.823
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -6.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -70.811793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.811793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.811793 (E_RNA)
where:
Base-Base interactions energy: -27.494
where: short stacking energy: -27.494
Base-Backbone interact. energy: -0.039
local terms energy: -43.279504
where:
bonds (distance) C4'-P energy: -10.060
bonds (distance) P-C4' energy: -5.488
flat angles C4'-P-C4' energy: -8.345
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -11.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -66.876860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.876860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.876860 (E_RNA)
where:
Base-Base interactions energy: -33.634
where: short stacking energy: -28.261
Base-Backbone interact. energy: 1.380
local terms energy: -34.622996
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -9.340
flat angles C4'-P-C4' energy: -9.941
flat angles P-C4'-P energy: -2.253
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: 9, replica: 1
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -62.571355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.571355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.571355 (E_RNA)
where:
Base-Base interactions energy: -20.288
where: short stacking energy: -19.542
Base-Backbone interact. energy: -0.031
local terms energy: -42.251910
where:
bonds (distance) C4'-P energy: -10.135
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -8.503
flat angles P-C4'-P energy: -9.424
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: 10
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -65.439413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.439413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.439413 (E_RNA)
where:
Base-Base interactions energy: -22.752
where: short stacking energy: -22.752
Base-Backbone interact. energy: 0.735
local terms energy: -43.422104
where:
bonds (distance) C4'-P energy: -9.547
bonds (distance) P-C4' energy: -11.612
flat angles C4'-P-C4' energy: -6.794
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -6.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -131.946460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.946460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.946460 (E_RNA)
where:
Base-Base interactions energy: -78.958
where: short stacking energy: -47.475
Base-Backbone interact. energy: -0.042
local terms energy: -52.946423
where:
bonds (distance) C4'-P energy: -10.491
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -10.586
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -13.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -125.468192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.468192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.468192 (E_RNA)
where:
Base-Base interactions energy: -72.245
where: short stacking energy: -45.726
Base-Backbone interact. energy: 0.508
local terms energy: -53.731001
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -10.615
flat angles P-C4'-P energy: -6.363
tors. eta vs tors. theta energy: -9.968
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: 3, replica: 4
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -118.825373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.825373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.825373 (E_RNA)
where:
Base-Base interactions energy: -69.307
where: short stacking energy: -37.586
Base-Backbone interact. energy: -0.105
local terms energy: -49.412909
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -9.855
flat angles C4'-P-C4' energy: -8.415
flat angles P-C4'-P energy: -7.802
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: 4, replica: 2
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -83.583216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.583216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.583216 (E_RNA)
where:
Base-Base interactions energy: -38.313
where: short stacking energy: -37.679
Base-Backbone interact. energy: -0.041
local terms energy: -45.229590
where:
bonds (distance) C4'-P energy: -10.885
bonds (distance) P-C4' energy: -10.431
flat angles C4'-P-C4' energy: -8.989
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -7.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -88.667918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.667918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.667918 (E_RNA)
where:
Base-Base interactions energy: -41.412
where: short stacking energy: -30.581
Base-Backbone interact. energy: -0.052
local terms energy: -47.203360
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -9.642
flat angles P-C4'-P energy: -6.948
tors. eta vs tors. theta energy: -5.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -83.363223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.363223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.363223 (E_RNA)
where:
Base-Base interactions energy: -36.376
where: short stacking energy: -36.376
Base-Backbone interact. energy: -0.046
local terms energy: -46.941274
where:
bonds (distance) C4'-P energy: -11.120
bonds (distance) P-C4' energy: -8.409
flat angles C4'-P-C4' energy: -11.272
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -6.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -83.655329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.655329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.655329 (E_RNA)
where:
Base-Base interactions energy: -32.892
where: short stacking energy: -32.892
Base-Backbone interact. energy: -0.001
local terms energy: -50.762896
where:
bonds (distance) C4'-P energy: -8.805
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -11.219
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -7.251
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: 8, replica: 1
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -67.527848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.527848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.527848 (E_RNA)
where:
Base-Base interactions energy: -24.895
where: short stacking energy: -23.974
Base-Backbone interact. energy: -0.034
local terms energy: -42.598649
where:
bonds (distance) C4'-P energy: -10.110
bonds (distance) P-C4' energy: -11.120
flat angles C4'-P-C4' energy: -7.478
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -2.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -72.080998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.080998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.080998 (E_RNA)
where:
Base-Base interactions energy: -21.957
where: short stacking energy: -21.957
Base-Backbone interact. energy: -0.004
local terms energy: -50.120139
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -7.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -61.496654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.496654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.496654 (E_RNA)
where:
Base-Base interactions energy: -18.163
where: short stacking energy: -18.163
Base-Backbone interact. energy: -0.043
local terms energy: -43.289826
where:
bonds (distance) C4'-P energy: -7.936
bonds (distance) P-C4' energy: -9.505
flat angles C4'-P-C4' energy: -9.282
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -6.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -152.156881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.156881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.156881 (E_RNA)
where:
Base-Base interactions energy: -94.170
where: short stacking energy: -58.072
Base-Backbone interact. energy: -0.017
local terms energy: -57.969329
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -9.563
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -15.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -127.521268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.521268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.521268 (E_RNA)
where:
Base-Base interactions energy: -71.193
where: short stacking energy: -40.582
Base-Backbone interact. energy: -0.023
local terms energy: -56.305061
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -6.638
tors. eta vs tors. theta energy: -12.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -122.214411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.214411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.214411 (E_RNA)
where:
Base-Base interactions energy: -69.893
where: short stacking energy: -40.591
Base-Backbone interact. energy: -0.018
local terms energy: -52.303322
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -11.112
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -4.861
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: 4, replica: 2
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -82.545493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.545493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.545493 (E_RNA)
where:
Base-Base interactions energy: -31.525
where: short stacking energy: -31.525
Base-Backbone interact. energy: -0.008
local terms energy: -51.012719
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -11.321
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -6.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -103.815811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.815811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.815811 (E_RNA)
where:
Base-Base interactions energy: -51.660
where: short stacking energy: -51.660
Base-Backbone interact. energy: -0.008
local terms energy: -52.147814
where:
bonds (distance) C4'-P energy: -8.302
bonds (distance) P-C4' energy: -10.081
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -13.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -85.786712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.786712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.786712 (E_RNA)
where:
Base-Base interactions energy: -42.437
where: short stacking energy: -29.006
Base-Backbone interact. energy: -0.117
local terms energy: -43.232501
where:
bonds (distance) C4'-P energy: -9.634
bonds (distance) P-C4' energy: -8.212
flat angles C4'-P-C4' energy: -11.541
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -5.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -77.687080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.687080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.687080 (E_RNA)
where:
Base-Base interactions energy: -33.194
where: short stacking energy: -33.194
Base-Backbone interact. energy: -0.000
local terms energy: -44.492624
where:
bonds (distance) C4'-P energy: -9.277
bonds (distance) P-C4' energy: -9.624
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -3.286
tors. eta vs tors. theta energy: -10.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -63.360629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.360629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.360629 (E_RNA)
where:
Base-Base interactions energy: -22.204
where: short stacking energy: -22.204
Base-Backbone interact. energy: -0.052
local terms energy: -41.103794
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -12.414
flat angles C4'-P-C4' energy: -10.296
flat angles P-C4'-P energy: -6.037
tors. eta vs tors. theta energy: 0.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -73.948985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.948985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.948985 (E_RNA)
where:
Base-Base interactions energy: -34.826
where: short stacking energy: -21.701
Base-Backbone interact. energy: -0.098
local terms energy: -39.025102
where:
bonds (distance) C4'-P energy: -8.636
bonds (distance) P-C4' energy: -11.151
flat angles C4'-P-C4' energy: -8.390
flat angles P-C4'-P energy: -6.094
tors. eta vs tors. theta energy: -4.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -64.301454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.301454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.301454 (E_RNA)
where:
Base-Base interactions energy: -25.075
where: short stacking energy: -25.075
Base-Backbone interact. energy: -0.014
local terms energy: -39.213088
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -6.339
flat angles P-C4'-P energy: -2.417
tors. eta vs tors. theta energy: -5.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -145.891687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.891687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.891687 (E_RNA)
where:
Base-Base interactions energy: -89.122
where: short stacking energy: -54.854
Base-Backbone interact. energy: -0.022
local terms energy: -56.747617
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -12.506
flat angles C4'-P-C4' energy: -10.364
flat angles P-C4'-P energy: -10.639
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: 2, replica: 4
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -137.564298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.564298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.564298 (E_RNA)
where:
Base-Base interactions energy: -80.446
where: short stacking energy: -49.817
Base-Backbone interact. energy: -0.117
local terms energy: -57.000610
where:
bonds (distance) C4'-P energy: -11.207
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -5.969
tors. eta vs tors. theta energy: -13.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -123.305684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.305684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.305684 (E_RNA)
where:
Base-Base interactions energy: -75.483
where: short stacking energy: -37.746
Base-Backbone interact. energy: -0.028
local terms energy: -47.794807
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -9.486
flat angles C4'-P-C4' energy: -8.543
flat angles P-C4'-P energy: -5.884
tors. eta vs tors. theta energy: -10.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -89.907037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.907037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.907037 (E_RNA)
where:
Base-Base interactions energy: -41.983
where: short stacking energy: -36.538
Base-Backbone interact. energy: -0.065
local terms energy: -47.859364
where:
bonds (distance) C4'-P energy: -12.084
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -11.020
flat angles P-C4'-P energy: -6.102
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: 5, replica: 9
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -116.496516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.496516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.496516 (E_RNA)
where:
Base-Base interactions energy: -66.701
where: short stacking energy: -36.683
Base-Backbone interact. energy: -0.016
local terms energy: -49.779198
where:
bonds (distance) C4'-P energy: -10.868
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -10.203
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -7.699
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: 1
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -89.100841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.100841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.100841 (E_RNA)
where:
Base-Base interactions energy: -43.213
where: short stacking energy: -28.010
Base-Backbone interact. energy: -0.008
local terms energy: -45.879999
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -11.181
flat angles C4'-P-C4' energy: -7.327
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -6.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -67.133508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.133508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.133508 (E_RNA)
where:
Base-Base interactions energy: -32.076
where: short stacking energy: -27.957
Base-Backbone interact. energy: -0.002
local terms energy: -35.055617
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -8.154
flat angles C4'-P-C4' energy: -7.204
flat angles P-C4'-P energy: -5.648
tors. eta vs tors. theta energy: -2.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -65.284916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.284916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.284916 (E_RNA)
where:
Base-Base interactions energy: -28.572
where: short stacking energy: -28.460
Base-Backbone interact. energy: 1.036
local terms energy: -37.748371
where:
bonds (distance) C4'-P energy: -9.936
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -1.619
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -2.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -67.491563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.491563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.491563 (E_RNA)
where:
Base-Base interactions energy: -26.012
where: short stacking energy: -26.012
Base-Backbone interact. energy: -0.130
local terms energy: -41.350190
where:
bonds (distance) C4'-P energy: -11.112
bonds (distance) P-C4' energy: -9.552
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -5.439
tors. eta vs tors. theta energy: -3.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -67.218256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.218256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.218256 (E_RNA)
where:
Base-Base interactions energy: -27.743
where: short stacking energy: -27.743
Base-Backbone interact. energy: -0.004
local terms energy: -39.471193
where:
bonds (distance) C4'-P energy: -6.239
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -4.165
tors. eta vs tors. theta energy: -5.259
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: 1, replica: 8
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -147.402022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.402022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.402022 (E_RNA)
where:
Base-Base interactions energy: -89.045
where: short stacking energy: -52.828
Base-Backbone interact. energy: -0.002
local terms energy: -58.354422
where:
bonds (distance) C4'-P energy: -10.607
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -7.206
tors. eta vs tors. theta energy: -14.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -130.162857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.162857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.162857 (E_RNA)
where:
Base-Base interactions energy: -75.877
where: short stacking energy: -49.095
Base-Backbone interact. energy: -0.075
local terms energy: -54.211076
where:
bonds (distance) C4'-P energy: -10.225
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -11.348
flat angles P-C4'-P energy: -4.415
tors. eta vs tors. theta energy: -14.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -132.522460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.522460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.522460 (E_RNA)
where:
Base-Base interactions energy: -84.071
where: short stacking energy: -45.630
Base-Backbone interact. energy: -0.092
local terms energy: -48.359821
where:
bonds (distance) C4'-P energy: -11.543
bonds (distance) P-C4' energy: -9.488
flat angles C4'-P-C4' energy: -10.352
flat angles P-C4'-P energy: -5.767
tors. eta vs tors. theta energy: -11.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -98.021474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.021474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.021474 (E_RNA)
where:
Base-Base interactions energy: -44.126
where: short stacking energy: -44.126
Base-Backbone interact. energy: -0.078
local terms energy: -53.817625
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -9.691
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -10.858
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: 1
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -83.197750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.197750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.197750 (E_RNA)
where:
Base-Base interactions energy: -32.572
where: short stacking energy: -32.572
Base-Backbone interact. energy: -0.023
local terms energy: -50.603169
where:
bonds (distance) C4'-P energy: -10.953
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: -7.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -86.144654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.144654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.144654 (E_RNA)
where:
Base-Base interactions energy: -34.798
where: short stacking energy: -34.798
Base-Backbone interact. energy: -0.049
local terms energy: -51.298037
where:
bonds (distance) C4'-P energy: -10.730
bonds (distance) P-C4' energy: -13.632
flat angles C4'-P-C4' energy: -8.822
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -10.220
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: 112
Temperature: 1.200000
Total energy: -72.144594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.144594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.144594 (E_RNA)
where:
Base-Base interactions energy: -27.553
where: short stacking energy: -20.278
Base-Backbone interact. energy: -0.131
local terms energy: -44.460272
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -13.175
flat angles C4'-P-C4' energy: -8.946
flat angles P-C4'-P energy: -2.686
tors. eta vs tors. theta energy: -6.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -72.336325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.336325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.336325 (E_RNA)
where:
Base-Base interactions energy: -27.972
where: short stacking energy: -27.972
Base-Backbone interact. energy: -0.077
local terms energy: -44.286696
where:
bonds (distance) C4'-P energy: -10.432
bonds (distance) P-C4' energy: -12.003
flat angles C4'-P-C4' energy: -9.483
flat angles P-C4'-P energy: -5.902
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: 7
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -63.697936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.697936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.697936 (E_RNA)
where:
Base-Base interactions energy: -22.199
where: short stacking energy: -22.199
Base-Backbone interact. energy: -0.309
local terms energy: -41.190300
where:
bonds (distance) C4'-P energy: -10.941
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -6.917
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: -3.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -56.864155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.864155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.864155 (E_RNA)
where:
Base-Base interactions energy: -17.693
where: short stacking energy: -17.491
Base-Backbone interact. energy: -0.098
local terms energy: -39.073376
where:
bonds (distance) C4'-P energy: -8.582
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: 0.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -146.117607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.117607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.117607 (E_RNA)
where:
Base-Base interactions energy: -84.580
where: short stacking energy: -47.788
Base-Backbone interact. energy: -0.207
local terms energy: -61.330903
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -11.485
flat angles P-C4'-P energy: -10.064
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: 2, replica: 4
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -135.482899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.482899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.482899 (E_RNA)
where:
Base-Base interactions energy: -76.303
where: short stacking energy: -44.594
Base-Backbone interact. energy: -0.002
local terms energy: -59.177593
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -10.008
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -12.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -138.947573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.947573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.947573 (E_RNA)
where:
Base-Base interactions energy: -80.154
where: short stacking energy: -52.720
Base-Backbone interact. energy: -0.007
local terms energy: -58.786425
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -9.383
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -15.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -100.554578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.554578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.554578 (E_RNA)
where:
Base-Base interactions energy: -46.511
where: short stacking energy: -46.511
Base-Backbone interact. energy: -0.001
local terms energy: -54.042265
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -11.883
flat angles C4'-P-C4' energy: -9.662
flat angles P-C4'-P energy: -6.977
tors. eta vs tors. theta energy: -12.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -82.416779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.416779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.416779 (E_RNA)
where:
Base-Base interactions energy: -38.493
where: short stacking energy: -33.210
Base-Backbone interact. energy: -0.220
local terms energy: -43.703413
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -7.698
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -2.826
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: 6, replica: 6
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -87.760883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.760883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.760883 (E_RNA)
where:
Base-Base interactions energy: -48.226
where: short stacking energy: -33.209
Base-Backbone interact. energy: -0.092
local terms energy: -39.442693
where:
bonds (distance) C4'-P energy: -10.408
bonds (distance) P-C4' energy: -11.766
flat angles C4'-P-C4' energy: -5.397
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -3.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -75.435983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.435983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.435983 (E_RNA)
where:
Base-Base interactions energy: -31.178
where: short stacking energy: -31.178
Base-Backbone interact. energy: -0.125
local terms energy: -44.132806
where:
bonds (distance) C4'-P energy: -9.820
bonds (distance) P-C4' energy: -12.367
flat angles C4'-P-C4' energy: -11.548
flat angles P-C4'-P energy: -2.689
tors. eta vs tors. theta energy: -7.710
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: 8, replica: 7
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -67.460774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.460774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.460774 (E_RNA)
where:
Base-Base interactions energy: -26.697
where: short stacking energy: -26.393
Base-Backbone interact. energy: -0.003
local terms energy: -40.760907
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: -4.140
tors. eta vs tors. theta energy: -2.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -62.502304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.502304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.502304 (E_RNA)
where:
Base-Base interactions energy: -25.030
where: short stacking energy: -16.489
Base-Backbone interact. energy: 0.258
local terms energy: -37.730349
where:
bonds (distance) C4'-P energy: -8.967
bonds (distance) P-C4' energy: -10.936
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -4.478
tors. eta vs tors. theta energy: -1.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -57.272254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.272254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.272254 (E_RNA)
where:
Base-Base interactions energy: -23.456
where: short stacking energy: -23.456
Base-Backbone interact. energy: -0.009
local terms energy: -33.807963
where:
bonds (distance) C4'-P energy: -10.150
bonds (distance) P-C4' energy: -10.433
flat angles C4'-P-C4' energy: -5.712
flat angles P-C4'-P energy: -2.309
tors. eta vs tors. theta energy: -5.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -147.035796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.035796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.035796 (E_RNA)
where:
Base-Base interactions energy: -86.765
where: short stacking energy: -51.577
Base-Backbone interact. energy: -0.026
local terms energy: -60.244984
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -15.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -144.189020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.189020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.189020 (E_RNA)
where:
Base-Base interactions energy: -83.545
where: short stacking energy: -53.954
Base-Backbone interact. energy: -0.020
local terms energy: -60.623352
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -11.556
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -8.896
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: 3, replica: 2
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -88.999438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.999438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.999438 (E_RNA)
where:
Base-Base interactions energy: -36.538
where: short stacking energy: -36.538
Base-Backbone interact. energy: -0.085
local terms energy: -52.376337
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -9.359
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -9.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -108.305415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.305415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.305415 (E_RNA)
where:
Base-Base interactions energy: -62.444
where: short stacking energy: -33.001
Base-Backbone interact. energy: -0.180
local terms energy: -45.681561
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -10.518
flat angles P-C4'-P energy: -4.772
tors. eta vs tors. theta energy: -6.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -86.978640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.978640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.978640 (E_RNA)
where:
Base-Base interactions energy: -33.592
where: short stacking energy: -33.592
Base-Backbone interact. energy: -0.151
local terms energy: -53.235917
where:
bonds (distance) C4'-P energy: -9.082
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -9.302
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: 6, replica: 1
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -90.823588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.823588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.823588 (E_RNA)
where:
Base-Base interactions energy: -45.888
where: short stacking energy: -25.457
Base-Backbone interact. energy: -0.199
local terms energy: -44.736932
where:
bonds (distance) C4'-P energy: -10.930
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -9.709
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -2.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -69.064470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.064470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.064470 (E_RNA)
where:
Base-Base interactions energy: -32.586
where: short stacking energy: -32.586
Base-Backbone interact. energy: -0.004
local terms energy: -36.473881
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -9.640
flat angles C4'-P-C4' energy: -8.247
flat angles P-C4'-P energy: -3.651
tors. eta vs tors. theta energy: -3.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -71.418546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.418546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.418546 (E_RNA)
where:
Base-Base interactions energy: -31.215
where: short stacking energy: -31.215
Base-Backbone interact. energy: 1.810
local terms energy: -42.013221
where:
bonds (distance) C4'-P energy: -7.821
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -10.036
flat angles P-C4'-P energy: -1.758
tors. eta vs tors. theta energy: -10.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -66.049399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.049399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.049399 (E_RNA)
where:
Base-Base interactions energy: -27.638
where: short stacking energy: -27.638
Base-Backbone interact. energy: -1.148
local terms energy: -37.263223
where:
bonds (distance) C4'-P energy: -10.047
bonds (distance) P-C4' energy: -6.850
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -2.602
tors. eta vs tors. theta energy: -4.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -74.955871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.955871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.955871 (E_RNA)
where:
Base-Base interactions energy: -30.532
where: short stacking energy: -30.532
Base-Backbone interact. energy: -0.014
local terms energy: -44.410302
where:
bonds (distance) C4'-P energy: -11.041
bonds (distance) P-C4' energy: -10.713
flat angles C4'-P-C4' energy: -7.478
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -6.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -142.829844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.829844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.829844 (E_RNA)
where:
Base-Base interactions energy: -93.284
where: short stacking energy: -52.332
Base-Backbone interact. energy: 0.816
local terms energy: -50.361369
where:
bonds (distance) C4'-P energy: -7.373
bonds (distance) P-C4' energy: -10.468
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -9.293
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: 2, replica: 8
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -134.974224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.974224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.974224 (E_RNA)
where:
Base-Base interactions energy: -81.170
where: short stacking energy: -48.078
Base-Backbone interact. energy: -0.051
local terms energy: -53.752806
where:
bonds (distance) C4'-P energy: -10.569
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -11.238
flat angles P-C4'-P energy: -4.433
tors. eta vs tors. theta energy: -13.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -88.147254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.147254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.147254 (E_RNA)
where:
Base-Base interactions energy: -41.367
where: short stacking energy: -41.367
Base-Backbone interact. energy: 0.029
local terms energy: -46.809894
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -9.132
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -7.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -116.039063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.039063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.039063 (E_RNA)
where:
Base-Base interactions energy: -72.293
where: short stacking energy: -41.576
Base-Backbone interact. energy: -0.225
local terms energy: -43.520557
where:
bonds (distance) C4'-P energy: -9.285
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -8.717
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -7.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -94.064766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.064766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.064766 (E_RNA)
where:
Base-Base interactions energy: -38.353
where: short stacking energy: -37.534
Base-Backbone interact. energy: -0.002
local terms energy: -55.709768
where:
bonds (distance) C4'-P energy: -10.201
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -11.496
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: 115
Temperature: 1.150000
Total energy: -83.804625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.804625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.804625 (E_RNA)
where:
Base-Base interactions energy: -37.067
where: short stacking energy: -37.067
Base-Backbone interact. energy: -0.059
local terms energy: -46.679154
where:
bonds (distance) C4'-P energy: -6.852
bonds (distance) P-C4' energy: -10.172
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -7.067
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: 7, replica: 1
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -82.015203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.015203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.015203 (E_RNA)
where:
Base-Base interactions energy: -32.256
where: short stacking energy: -32.256
Base-Backbone interact. energy: -0.003
local terms energy: -49.755763
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -8.892
flat angles P-C4'-P energy: -5.102
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: 8, replica: 7
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -66.091983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.091983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.091983 (E_RNA)
where:
Base-Base interactions energy: -25.442
where: short stacking energy: -25.442
Base-Backbone interact. energy: -0.125
local terms energy: -40.525269
where:
bonds (distance) C4'-P energy: -9.799
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -7.238
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: -4.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -62.713497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.713497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.713497 (E_RNA)
where:
Base-Base interactions energy: -18.009
where: short stacking energy: -18.009
Base-Backbone interact. energy: -0.004
local terms energy: -44.701326
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -6.221
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -4.424
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: 115
Temperature: 1.350000
Total energy: -60.984854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.984854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.984854 (E_RNA)
where:
Base-Base interactions energy: -24.928
where: short stacking energy: -24.928
Base-Backbone interact. energy: -0.059
local terms energy: -35.998389
where:
bonds (distance) C4'-P energy: -6.205
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -10.257
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: 0.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -134.940833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.940833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.940833 (E_RNA)
where:
Base-Base interactions energy: -81.943
where: short stacking energy: -44.963
Base-Backbone interact. energy: -0.099
local terms energy: -52.899067
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -9.468
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: -12.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -140.113214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.113214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.113214 (E_RNA)
where:
Base-Base interactions energy: -82.256
where: short stacking energy: -45.612
Base-Backbone interact. energy: -0.134
local terms energy: -57.723153
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -10.660
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: -12.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -117.593139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.593139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.593139 (E_RNA)
where:
Base-Base interactions energy: -67.016
where: short stacking energy: -35.997
Base-Backbone interact. energy: -0.003
local terms energy: -50.573307
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -7.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -94.657959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.657959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.657959 (E_RNA)
where:
Base-Base interactions energy: -44.674
where: short stacking energy: -44.674
Base-Backbone interact. energy: -0.004
local terms energy: -49.979814
where:
bonds (distance) C4'-P energy: -9.377
bonds (distance) P-C4' energy: -10.248
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -8.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -86.283778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.283778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.283778 (E_RNA)
where:
Base-Base interactions energy: -37.599
where: short stacking energy: -37.599
Base-Backbone interact. energy: -0.037
local terms energy: -48.647719
where:
bonds (distance) C4'-P energy: -9.915
bonds (distance) P-C4' energy: -9.467
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -10.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -75.968000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.968000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.968000 (E_RNA)
where:
Base-Base interactions energy: -39.029
where: short stacking energy: -39.029
Base-Backbone interact. energy: -0.072
local terms energy: -36.866931
where:
bonds (distance) C4'-P energy: -8.599
bonds (distance) P-C4' energy: -9.127
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -4.275
tors. eta vs tors. theta energy: -3.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -73.891446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.891446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.891446 (E_RNA)
where:
Base-Base interactions energy: -34.069
where: short stacking energy: -18.839
Base-Backbone interact. energy: -0.203
local terms energy: -39.619337
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -9.639
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: 1.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -69.298737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.298737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.298737 (E_RNA)
where:
Base-Base interactions energy: -26.014
where: short stacking energy: -25.097
Base-Backbone interact. energy: -0.028
local terms energy: -43.256860
where:
bonds (distance) C4'-P energy: -8.971
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -9.122
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -6.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -62.351233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.351233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.351233 (E_RNA)
where:
Base-Base interactions energy: -27.537
where: short stacking energy: -18.384
Base-Backbone interact. energy: -0.644
local terms energy: -34.170549
where:
bonds (distance) C4'-P energy: -9.498
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -6.987
flat angles P-C4'-P energy: -5.022
tors. eta vs tors. theta energy: -0.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -64.557533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.557533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.557533 (E_RNA)
where:
Base-Base interactions energy: -21.550
where: short stacking energy: -18.440
Base-Backbone interact. energy: -0.073
local terms energy: -42.934268
where:
bonds (distance) C4'-P energy: -6.918
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: -4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -150.747193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.747193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.747193 (E_RNA)
where:
Base-Base interactions energy: -86.851
where: short stacking energy: -56.355
Base-Backbone interact. energy: -0.011
local terms energy: -63.885280
where:
bonds (distance) C4'-P energy: -11.857
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -17.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -127.233418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.233418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.233418 (E_RNA)
where:
Base-Base interactions energy: -75.125
where: short stacking energy: -42.288
Base-Backbone interact. energy: -0.044
local terms energy: -52.064206
where:
bonds (distance) C4'-P energy: -7.406
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -6.268
tors. eta vs tors. theta energy: -12.465
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: 117
Temperature: 1.000000
Total energy: -126.844983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.844983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.844983 (E_RNA)
where:
Base-Base interactions energy: -70.685
where: short stacking energy: -41.546
Base-Backbone interact. energy: 0.141
local terms energy: -56.301290
where:
bonds (distance) C4'-P energy: -9.000
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -11.370
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: 4, replica: 9
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -83.923764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.923764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.923764 (E_RNA)
where:
Base-Base interactions energy: -34.580
where: short stacking energy: -34.580
Base-Backbone interact. energy: -0.006
local terms energy: -49.337860
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -11.785
flat angles C4'-P-C4' energy: -10.712
flat angles P-C4'-P energy: -5.982
tors. eta vs tors. theta energy: -7.570
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: 5, replica: 2
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -77.652917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.652917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.652917 (E_RNA)
where:
Base-Base interactions energy: -32.109
where: short stacking energy: -32.109
Base-Backbone interact. energy: -0.113
local terms energy: -45.431484
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -11.408
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -2.289
tors. eta vs tors. theta energy: -7.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -75.298680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.298680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.298680 (E_RNA)
where:
Base-Base interactions energy: -30.286
where: short stacking energy: -30.286
Base-Backbone interact. energy: -0.007
local terms energy: -45.005999
where:
bonds (distance) C4'-P energy: -10.359
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -5.314
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: 7, replica: 7
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -70.104099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.104099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.104099 (E_RNA)
where:
Base-Base interactions energy: -25.445
where: short stacking energy: -25.445
Base-Backbone interact. energy: -0.093
local terms energy: -44.565487
where:
bonds (distance) C4'-P energy: -8.112
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -8.682
flat angles P-C4'-P energy: -5.936
tors. eta vs tors. theta energy: -7.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -71.731399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.731399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.731399 (E_RNA)
where:
Base-Base interactions energy: -29.966
where: short stacking energy: -19.744
Base-Backbone interact. energy: -0.296
local terms energy: -41.469489
where:
bonds (distance) C4'-P energy: -9.100
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -8.134
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -2.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -69.857182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.857182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.857182 (E_RNA)
where:
Base-Base interactions energy: -29.423
where: short stacking energy: -29.423
Base-Backbone interact. energy: -0.022
local terms energy: -40.412533
where:
bonds (distance) C4'-P energy: -1.706
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -9.668
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -5.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -81.926270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.926270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.926270 (E_RNA)
where:
Base-Base interactions energy: -30.350
where: short stacking energy: -30.350
Base-Backbone interact. energy: -0.093
local terms energy: -51.482817
where:
bonds (distance) C4'-P energy: -11.219
bonds (distance) P-C4' energy: -10.765
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -9.379
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: 5
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -140.523821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.523821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.523821 (E_RNA)
where:
Base-Base interactions energy: -84.862
where: short stacking energy: -55.365
Base-Backbone interact. energy: 1.062
local terms energy: -56.723781
where:
bonds (distance) C4'-P energy: -8.334
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -10.007
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -15.176
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: 8
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -128.911519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.911519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.911519 (E_RNA)
where:
Base-Base interactions energy: -77.248
where: short stacking energy: -50.775
Base-Backbone interact. energy: -0.004
local terms energy: -51.659559
where:
bonds (distance) C4'-P energy: -10.171
bonds (distance) P-C4' energy: -10.565
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -5.924
tors. eta vs tors. theta energy: -12.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -83.300159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.300159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.300159 (E_RNA)
where:
Base-Base interactions energy: -36.552
where: short stacking energy: -31.882
Base-Backbone interact. energy: -0.008
local terms energy: -46.740782
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -9.777
flat angles C4'-P-C4' energy: -8.626
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -6.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -110.765991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.765991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.765991 (E_RNA)
where:
Base-Base interactions energy: -63.676
where: short stacking energy: -32.777
Base-Backbone interact. energy: -0.304
local terms energy: -46.786113
where:
bonds (distance) C4'-P energy: -7.908
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -4.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -87.175229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.175229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.175229 (E_RNA)
where:
Base-Base interactions energy: -39.309
where: short stacking energy: -39.309
Base-Backbone interact. energy: -0.002
local terms energy: -47.863375
where:
bonds (distance) C4'-P energy: -10.653
bonds (distance) P-C4' energy: -11.863
flat angles C4'-P-C4' energy: -6.649
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -10.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -74.118697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.118697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.118697 (E_RNA)
where:
Base-Base interactions energy: -35.722
where: short stacking energy: -18.605
Base-Backbone interact. energy: -0.399
local terms energy: -37.998567
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -10.517
flat angles C4'-P-C4' energy: -7.578
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -1.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -74.227800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.227800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.227800 (E_RNA)
where:
Base-Base interactions energy: -22.948
where: short stacking energy: -22.262
Base-Backbone interact. energy: -0.299
local terms energy: -50.980991
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -6.813
tors. eta vs tors. theta energy: -4.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -78.783308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.783308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.783308 (E_RNA)
where:
Base-Base interactions energy: -32.830
where: short stacking energy: -32.830
Base-Backbone interact. energy: -0.036
local terms energy: -45.917147
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -3.666
tors. eta vs tors. theta energy: -7.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -67.976393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.976393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.976393 (E_RNA)
where:
Base-Base interactions energy: -22.256
where: short stacking energy: -20.891
Base-Backbone interact. energy: -0.008
local terms energy: -45.712298
where:
bonds (distance) C4'-P energy: -9.486
bonds (distance) P-C4' energy: -12.761
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: -4.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -65.065638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.065638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.065638 (E_RNA)
where:
Base-Base interactions energy: -23.020
where: short stacking energy: -23.020
Base-Backbone interact. energy: 0.743
local terms energy: -42.788783
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -11.675
flat angles C4'-P-C4' energy: -6.593
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -3.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -136.612063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.612063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.612063 (E_RNA)
where:
Base-Base interactions energy: -80.502
where: short stacking energy: -51.791
Base-Backbone interact. energy: -0.015
local terms energy: -56.095728
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -5.925
tors. eta vs tors. theta energy: -14.321
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: 2, replica: 8
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -119.052377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.052377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.052377 (E_RNA)
where:
Base-Base interactions energy: -73.456
where: short stacking energy: -36.671
Base-Backbone interact. energy: -0.087
local terms energy: -45.509689
where:
bonds (distance) C4'-P energy: -9.203
bonds (distance) P-C4' energy: -7.933
flat angles C4'-P-C4' energy: -10.568
flat angles P-C4'-P energy: -7.281
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: 3, replica: 9
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -89.341752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.341752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.341752 (E_RNA)
where:
Base-Base interactions energy: -32.712
where: short stacking energy: -32.712
Base-Backbone interact. energy: -0.003
local terms energy: -56.626567
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -8.638
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -12.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -119.726009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.726009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.726009 (E_RNA)
where:
Base-Base interactions energy: -66.745
where: short stacking energy: -41.237
Base-Backbone interact. energy: -0.001
local terms energy: -52.980135
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -6.285
tors. eta vs tors. theta energy: -9.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -82.370157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.370157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.370157 (E_RNA)
where:
Base-Base interactions energy: -31.069
where: short stacking energy: -28.948
Base-Backbone interact. energy: -0.096
local terms energy: -51.206059
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -10.674
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -6.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -79.521092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.521092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.521092 (E_RNA)
where:
Base-Base interactions energy: -34.818
where: short stacking energy: -33.647
Base-Backbone interact. energy: 0.132
local terms energy: -44.834708
where:
bonds (distance) C4'-P energy: -10.205
bonds (distance) P-C4' energy: -10.848
flat angles C4'-P-C4' energy: -11.427
flat angles P-C4'-P energy: -5.897
tors. eta vs tors. theta energy: -6.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -69.105060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.105060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.105060 (E_RNA)
where:
Base-Base interactions energy: -29.266
where: short stacking energy: -29.266
Base-Backbone interact. energy: 0.403
local terms energy: -40.242243
where:
bonds (distance) C4'-P energy: -7.059
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -10.527
flat angles P-C4'-P energy: -5.352
tors. eta vs tors. theta energy: -4.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -69.697369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.697369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.697369 (E_RNA)
where:
Base-Base interactions energy: -23.275
where: short stacking energy: -23.275
Base-Backbone interact. energy: -0.142
local terms energy: -46.279930
where:
bonds (distance) C4'-P energy: -11.104
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -11.096
flat angles P-C4'-P energy: -4.019
tors. eta vs tors. theta energy: -5.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -82.676620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.676620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.676620 (E_RNA)
where:
Base-Base interactions energy: -33.306
where: short stacking energy: -28.460
Base-Backbone interact. energy: -0.227
local terms energy: -49.144012
where:
bonds (distance) C4'-P energy: -9.604
bonds (distance) P-C4' energy: -12.991
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -6.659
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: 10, replica: 1
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -62.770910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.770910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.770910 (E_RNA)
where:
Base-Base interactions energy: -29.325
where: short stacking energy: -20.700
Base-Backbone interact. energy: -0.075
local terms energy: -33.369975
where:
bonds (distance) C4'-P energy: -9.155
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -7.637
flat angles P-C4'-P energy: -1.242
tors. eta vs tors. theta energy: -2.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -132.014640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.014640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.014640 (E_RNA)
where:
Base-Base interactions energy: -79.632
where: short stacking energy: -48.575
Base-Backbone interact. energy: -0.076
local terms energy: -52.306519
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -10.636
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -5.885
tors. eta vs tors. theta energy: -11.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -128.307984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.307984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.307984 (E_RNA)
where:
Base-Base interactions energy: -77.870
where: short stacking energy: -47.925
Base-Backbone interact. energy: -0.014
local terms energy: -50.423984
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -9.847
flat angles C4'-P-C4' energy: -10.216
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: -11.596
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: 4
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -118.664872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.664872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.664872 (E_RNA)
where:
Base-Base interactions energy: -67.264
where: short stacking energy: -40.471
Base-Backbone interact. energy: -0.104
local terms energy: -51.297251
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -10.417
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -9.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -93.741267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.741267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.741267 (E_RNA)
where:
Base-Base interactions energy: -36.175
where: short stacking energy: -36.175
Base-Backbone interact. energy: -0.003
local terms energy: -57.563523
where:
bonds (distance) C4'-P energy: -10.147
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -11.385
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: 10
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -81.367405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.367405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.367405 (E_RNA)
where:
Base-Base interactions energy: -36.042
where: short stacking energy: -36.042
Base-Backbone interact. energy: -0.002
local terms energy: -45.323223
where:
bonds (distance) C4'-P energy: -9.969
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -10.880
flat angles P-C4'-P energy: -5.004
tors. eta vs tors. theta energy: -8.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -71.652777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.652777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.652777 (E_RNA)
where:
Base-Base interactions energy: -30.972
where: short stacking energy: -30.972
Base-Backbone interact. energy: -0.170
local terms energy: -40.511173
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -8.632
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -5.773
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: 7, replica: 6
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -84.853811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.853811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.853811 (E_RNA)
where:
Base-Base interactions energy: -41.386
where: short stacking energy: -41.386
Base-Backbone interact. energy: -0.004
local terms energy: -43.463925
where:
bonds (distance) C4'-P energy: -6.893
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -11.274
flat angles P-C4'-P energy: -2.984
tors. eta vs tors. theta energy: -8.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -73.751503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.751503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.751503 (E_RNA)
where:
Base-Base interactions energy: -31.399
where: short stacking energy: -27.604
Base-Backbone interact. energy: 0.129
local terms energy: -42.481174
where:
bonds (distance) C4'-P energy: -8.260
bonds (distance) P-C4' energy: -8.151
flat angles C4'-P-C4' energy: -10.335
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -6.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -99.520379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.520379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.520379 (E_RNA)
where:
Base-Base interactions energy: -59.580
where: short stacking energy: -27.776
Base-Backbone interact. energy: -0.069
local terms energy: -39.871614
where:
bonds (distance) C4'-P energy: -9.233
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -7.000
flat angles P-C4'-P energy: -4.409
tors. eta vs tors. theta energy: -5.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -62.028211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.028211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.028211 (E_RNA)
where:
Base-Base interactions energy: -19.658
where: short stacking energy: -22.464
Base-Backbone interact. energy: -0.033
local terms energy: -42.336809
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -8.205
flat angles P-C4'-P energy: -6.565
tors. eta vs tors. theta energy: -3.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -138.991760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.991760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.991760 (E_RNA)
where:
Base-Base interactions energy: -82.074
where: short stacking energy: -52.532
Base-Backbone interact. energy: -0.018
local terms energy: -56.899779
where:
bonds (distance) C4'-P energy: -10.574
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -15.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -132.665658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.665658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.665658 (E_RNA)
where:
Base-Base interactions energy: -76.837
where: short stacking energy: -45.028
Base-Backbone interact. energy: -0.001
local terms energy: -55.827861
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -11.412
flat angles C4'-P-C4' energy: -11.377
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -11.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -124.534190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.534190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.534190 (E_RNA)
where:
Base-Base interactions energy: -70.528
where: short stacking energy: -41.755
Base-Backbone interact. energy: -0.128
local terms energy: -53.877784
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -7.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -90.692167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.692167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.692167 (E_RNA)
where:
Base-Base interactions energy: -39.107
where: short stacking energy: -39.107
Base-Backbone interact. energy: -0.028
local terms energy: -51.556824
where:
bonds (distance) C4'-P energy: -11.244
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -10.817
flat angles P-C4'-P energy: -6.863
tors. eta vs tors. theta energy: -10.234
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: 10
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -76.504707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.504707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.504707 (E_RNA)
where:
Base-Base interactions energy: -34.576
where: short stacking energy: -34.576
Base-Backbone interact. energy: -0.008
local terms energy: -41.920108
where:
bonds (distance) C4'-P energy: -9.170
bonds (distance) P-C4' energy: -10.245
flat angles C4'-P-C4' energy: -10.500
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -3.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -75.381650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.381650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.381650 (E_RNA)
where:
Base-Base interactions energy: -29.983
where: short stacking energy: -24.764
Base-Backbone interact. energy: -0.155
local terms energy: -45.243170
where:
bonds (distance) C4'-P energy: -7.522
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -2.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -66.127190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.127190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.127190 (E_RNA)
where:
Base-Base interactions energy: -25.624
where: short stacking energy: -25.624
Base-Backbone interact. energy: -0.133
local terms energy: -40.369896
where:
bonds (distance) C4'-P energy: -10.710
bonds (distance) P-C4' energy: -9.175
flat angles C4'-P-C4' energy: -11.109
flat angles P-C4'-P energy: -6.007
tors. eta vs tors. theta energy: -3.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -108.290851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.290851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.290851 (E_RNA)
where:
Base-Base interactions energy: -58.682
where: short stacking energy: -34.309
Base-Backbone interact. energy: 2.238
local terms energy: -51.846793
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -12.054
flat angles C4'-P-C4' energy: -9.816
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -8.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -63.889106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.889106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.889106 (E_RNA)
where:
Base-Base interactions energy: -22.956
where: short stacking energy: -22.956
Base-Backbone interact. energy: -0.090
local terms energy: -40.843129
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -5.488
flat angles P-C4'-P energy: -6.281
tors. eta vs tors. theta energy: -5.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -70.977022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.977022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.977022 (E_RNA)
where:
Base-Base interactions energy: -32.804
where: short stacking energy: -32.804
Base-Backbone interact. energy: -0.104
local terms energy: -38.069450
where:
bonds (distance) C4'-P energy: -9.725
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -3.141
flat angles P-C4'-P energy: -3.044
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: 1, replica: 5
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -132.865677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.865677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.865677 (E_RNA)
where:
Base-Base interactions energy: -75.340
where: short stacking energy: -46.983
Base-Backbone interact. energy: -0.046
local terms energy: -57.479502
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -12.209
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -12.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -125.142609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.142609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.142609 (E_RNA)
where:
Base-Base interactions energy: -70.296
where: short stacking energy: -41.106
Base-Backbone interact. energy: -0.011
local terms energy: -54.835573
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -10.764
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -9.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -115.241204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.241204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.241204 (E_RNA)
where:
Base-Base interactions energy: -65.047
where: short stacking energy: -36.391
Base-Backbone interact. energy: -0.041
local terms energy: -50.152391
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -8.078
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -7.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -86.890828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.890828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.890828 (E_RNA)
where:
Base-Base interactions energy: -34.687
where: short stacking energy: -34.687
Base-Backbone interact. energy: -0.413
local terms energy: -51.790758
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -9.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -82.278354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.278354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.278354 (E_RNA)
where:
Base-Base interactions energy: -35.434
where: short stacking energy: -35.434
Base-Backbone interact. energy: -0.012
local terms energy: -46.833090
where:
bonds (distance) C4'-P energy: -8.769
bonds (distance) P-C4' energy: -10.704
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -4.097
tors. eta vs tors. theta energy: -11.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -78.003800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.003800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.003800 (E_RNA)
where:
Base-Base interactions energy: -33.254
where: short stacking energy: -33.254
Base-Backbone interact. energy: -0.240
local terms energy: -44.510256
where:
bonds (distance) C4'-P energy: -8.161
bonds (distance) P-C4' energy: -12.435
flat angles C4'-P-C4' energy: -9.339
flat angles P-C4'-P energy: -6.999
tors. eta vs tors. theta energy: -7.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -74.348127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.348127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.348127 (E_RNA)
where:
Base-Base interactions energy: -29.179
where: short stacking energy: -29.532
Base-Backbone interact. energy: -0.079
local terms energy: -45.089731
where:
bonds (distance) C4'-P energy: -10.238
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -8.605
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -6.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -64.317819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.317819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.317819 (E_RNA)
where:
Base-Base interactions energy: -22.697
where: short stacking energy: -21.810
Base-Backbone interact. energy: 0.479
local terms energy: -42.100741
where:
bonds (distance) C4'-P energy: -9.716
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -11.316
flat angles P-C4'-P energy: -6.681
tors. eta vs tors. theta energy: -2.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -61.367959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.367959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.367959 (E_RNA)
where:
Base-Base interactions energy: -20.922
where: short stacking energy: -20.922
Base-Backbone interact. energy: -0.044
local terms energy: -40.401889
where:
bonds (distance) C4'-P energy: -6.071
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -7.137
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -6.462
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: 7
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -59.621400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.621400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.621400 (E_RNA)
where:
Base-Base interactions energy: -22.518
where: short stacking energy: -17.783
Base-Backbone interact. energy: -0.004
local terms energy: -37.100068
where:
bonds (distance) C4'-P energy: -6.525
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -11.071
flat angles P-C4'-P energy: -5.242
tors. eta vs tors. theta energy: -2.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -139.136507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.136507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.136507 (E_RNA)
where:
Base-Base interactions energy: -86.290
where: short stacking energy: -50.834
Base-Backbone interact. energy: 0.031
local terms energy: -52.877359
where:
bonds (distance) C4'-P energy: -9.286
bonds (distance) P-C4' energy: -10.592
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -11.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -133.373562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.373562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.373562 (E_RNA)
where:
Base-Base interactions energy: -76.002
where: short stacking energy: -46.495
Base-Backbone interact. energy: -0.005
local terms energy: -57.365915
where:
bonds (distance) C4'-P energy: -11.720
bonds (distance) P-C4' energy: -10.058
flat angles C4'-P-C4' energy: -11.465
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -13.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -131.006112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.006112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.006112 (E_RNA)
where:
Base-Base interactions energy: -74.445
where: short stacking energy: -49.211
Base-Backbone interact. energy: -0.054
local terms energy: -56.507296
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -9.746
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -6.487
tors. eta vs tors. theta energy: -13.764
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: 6
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -77.339017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.339017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.339017 (E_RNA)
where:
Base-Base interactions energy: -37.738
where: short stacking energy: -37.738
Base-Backbone interact. energy: -0.344
local terms energy: -39.257054
where:
bonds (distance) C4'-P energy: -6.952
bonds (distance) P-C4' energy: -10.605
flat angles C4'-P-C4' energy: -9.669
flat angles P-C4'-P energy: -7.099
tors. eta vs tors. theta energy: -4.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -85.819181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.819181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.819181 (E_RNA)
where:
Base-Base interactions energy: -41.308
where: short stacking energy: -30.030
Base-Backbone interact. energy: -0.186
local terms energy: -44.324874
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -10.338
flat angles C4'-P-C4' energy: -9.414
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -4.488
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: 123
Temperature: 1.150000
Total energy: -81.554235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.554235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.554235 (E_RNA)
where:
Base-Base interactions energy: -35.274
where: short stacking energy: -35.274
Base-Backbone interact. energy: -0.023
local terms energy: -46.256656
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -5.819
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: -7.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -73.100608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.100608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.100608 (E_RNA)
where:
Base-Base interactions energy: -23.940
where: short stacking energy: -22.532
Base-Backbone interact. energy: -0.004
local terms energy: -49.156930
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -0.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -78.944043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.944043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.944043 (E_RNA)
where:
Base-Base interactions energy: -32.989
where: short stacking energy: -32.989
Base-Backbone interact. energy: -0.097
local terms energy: -45.858972
where:
bonds (distance) C4'-P energy: -6.670
bonds (distance) P-C4' energy: -11.470
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -8.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -69.919834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.919834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.919834 (E_RNA)
where:
Base-Base interactions energy: -30.478
where: short stacking energy: -30.478
Base-Backbone interact. energy: -0.079
local terms energy: -39.363050
where:
bonds (distance) C4'-P energy: -8.985
bonds (distance) P-C4' energy: -9.336
flat angles C4'-P-C4' energy: -11.240
flat angles P-C4'-P energy: -1.569
tors. eta vs tors. theta energy: -8.234
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: 10, replica: 7
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -62.349846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.349846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.349846 (E_RNA)
where:
Base-Base interactions energy: -16.072
where: short stacking energy: -16.072
Base-Backbone interact. energy: -0.178
local terms energy: -46.100492
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -10.712
flat angles P-C4'-P energy: -6.380
tors. eta vs tors. theta energy: -5.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -142.232694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.232694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.232694 (E_RNA)
where:
Base-Base interactions energy: -83.112
where: short stacking energy: -44.352
Base-Backbone interact. energy: -0.006
local terms energy: -59.114406
where:
bonds (distance) C4'-P energy: -10.516
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -15.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -129.270178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.270178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.270178 (E_RNA)
where:
Base-Base interactions energy: -73.302
where: short stacking energy: -41.470
Base-Backbone interact. energy: -0.068
local terms energy: -55.900444
where:
bonds (distance) C4'-P energy: -12.399
bonds (distance) P-C4' energy: -10.471
flat angles C4'-P-C4' energy: -8.760
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -12.899
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: 8
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -134.071188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.071188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.071188 (E_RNA)
where:
Base-Base interactions energy: -78.135
where: short stacking energy: -49.309
Base-Backbone interact. energy: -0.011
local terms energy: -55.924910
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -6.705
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: 4, replica: 6
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -94.205214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.205214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.205214 (E_RNA)
where:
Base-Base interactions energy: -38.191
where: short stacking energy: -38.191
Base-Backbone interact. energy: -0.862
local terms energy: -55.152250
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -10.905
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: -11.563
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: 2
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -74.033379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.033379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.033379 (E_RNA)
where:
Base-Base interactions energy: -26.794
where: short stacking energy: -26.794
Base-Backbone interact. energy: -0.137
local terms energy: -47.102755
where:
bonds (distance) C4'-P energy: -8.999
bonds (distance) P-C4' energy: -10.507
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -7.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -82.868666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.868666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.868666 (E_RNA)
where:
Base-Base interactions energy: -36.698
where: short stacking energy: -36.698
Base-Backbone interact. energy: -0.023
local terms energy: -46.147491
where:
bonds (distance) C4'-P energy: -9.943
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -1.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -64.377704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.377704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.377704 (E_RNA)
where:
Base-Base interactions energy: -30.314
where: short stacking energy: -22.029
Base-Backbone interact. energy: 0.438
local terms energy: -34.501715
where:
bonds (distance) C4'-P energy: -8.719
bonds (distance) P-C4' energy: -10.918
flat angles C4'-P-C4' energy: -6.092
flat angles P-C4'-P energy: -1.873
tors. eta vs tors. theta energy: -6.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -79.204888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.204888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.204888 (E_RNA)
where:
Base-Base interactions energy: -33.847
where: short stacking energy: -27.551
Base-Backbone interact. energy: -0.032
local terms energy: -45.325656
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -10.487
flat angles C4'-P-C4' energy: -11.049
flat angles P-C4'-P energy: -3.721
tors. eta vs tors. theta energy: -7.589
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: 7
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -67.010201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.010201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.010201 (E_RNA)
where:
Base-Base interactions energy: -30.346
where: short stacking energy: -21.722
Base-Backbone interact. energy: -0.168
local terms energy: -36.496149
where:
bonds (distance) C4'-P energy: -10.933
bonds (distance) P-C4' energy: -8.838
flat angles C4'-P-C4' energy: -4.014
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -1.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -63.814553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.814553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.814553 (E_RNA)
where:
Base-Base interactions energy: -23.817
where: short stacking energy: -23.817
Base-Backbone interact. energy: -0.095
local terms energy: -39.902897
where:
bonds (distance) C4'-P energy: -6.649
bonds (distance) P-C4' energy: -11.837
flat angles C4'-P-C4' energy: -9.407
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -3.614
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: 1, replica: 4
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -130.603717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.603717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.603717 (E_RNA)
where:
Base-Base interactions energy: -72.935
where: short stacking energy: -41.501
Base-Backbone interact. energy: -0.194
local terms energy: -57.475180
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -13.492
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: 2, replica: 8
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -124.943172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.943172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.943172 (E_RNA)
where:
Base-Base interactions energy: -69.868
where: short stacking energy: -42.718
Base-Backbone interact. energy: 0.441
local terms energy: -55.516634
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -11.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -133.053385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.053385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.053385 (E_RNA)
where:
Base-Base interactions energy: -76.422
where: short stacking energy: -47.029
Base-Backbone interact. energy: -0.045
local terms energy: -56.585601
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -5.135
tors. eta vs tors. theta energy: -14.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -94.274772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.274772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.274772 (E_RNA)
where:
Base-Base interactions energy: -45.680
where: short stacking energy: -45.680
Base-Backbone interact. energy: -0.001
local terms energy: -48.594436
where:
bonds (distance) C4'-P energy: -9.907
bonds (distance) P-C4' energy: -9.789
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -6.508
tors. eta vs tors. theta energy: -9.569
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: 5, replica: 2
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -83.550758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.550758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.550758 (E_RNA)
where:
Base-Base interactions energy: -37.190
where: short stacking energy: -37.190
Base-Backbone interact. energy: -0.043
local terms energy: -46.317029
where:
bonds (distance) C4'-P energy: -10.136
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -5.640
tors. eta vs tors. theta energy: -4.924
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: 1
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -75.985673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.985673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.985673 (E_RNA)
where:
Base-Base interactions energy: -27.850
where: short stacking energy: -27.850
Base-Backbone interact. energy: -0.000
local terms energy: -48.135018
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -11.160
flat angles C4'-P-C4' energy: -10.900
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -6.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -79.185330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.185330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.185330 (E_RNA)
where:
Base-Base interactions energy: -34.541
where: short stacking energy: -34.541
Base-Backbone interact. energy: -0.016
local terms energy: -44.628907
where:
bonds (distance) C4'-P energy: -10.727
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -7.940
flat angles P-C4'-P energy: -3.579
tors. eta vs tors. theta energy: -8.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -74.582440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.582440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.582440 (E_RNA)
where:
Base-Base interactions energy: -36.223
where: short stacking energy: -25.784
Base-Backbone interact. energy: -0.128
local terms energy: -38.231728
where:
bonds (distance) C4'-P energy: -8.843
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -6.289
flat angles P-C4'-P energy: -7.870
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: 9, replica: 10
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -67.397982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.397982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.397982 (E_RNA)
where:
Base-Base interactions energy: -31.386
where: short stacking energy: -31.386
Base-Backbone interact. energy: -0.173
local terms energy: -35.838887
where:
bonds (distance) C4'-P energy: -6.452
bonds (distance) P-C4' energy: -10.053
flat angles C4'-P-C4' energy: -10.205
flat angles P-C4'-P energy: -4.384
tors. eta vs tors. theta energy: -4.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -64.738534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.738534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.738534 (E_RNA)
where:
Base-Base interactions energy: -19.501
where: short stacking energy: -19.501
Base-Backbone interact. energy: -0.048
local terms energy: -45.190160
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -6.973
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -5.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -134.635146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.635146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.635146 (E_RNA)
where:
Base-Base interactions energy: -79.203
where: short stacking energy: -47.276
Base-Backbone interact. energy: -0.067
local terms energy: -55.365056
where:
bonds (distance) C4'-P energy: -9.109
bonds (distance) P-C4' energy: -10.427
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -10.866
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: 2, replica: 4
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -127.724618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.724618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.724618 (E_RNA)
where:
Base-Base interactions energy: -70.258
where: short stacking energy: -41.676
Base-Backbone interact. energy: -0.003
local terms energy: -57.463140
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -9.386
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -10.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -136.386596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.386596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.386596 (E_RNA)
where:
Base-Base interactions energy: -84.300
where: short stacking energy: -52.213
Base-Backbone interact. energy: -0.095
local terms energy: -51.991543
where:
bonds (distance) C4'-P energy: -8.346
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -10.651
flat angles P-C4'-P energy: -5.573
tors. eta vs tors. theta energy: -13.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -94.357746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.357746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.357746 (E_RNA)
where:
Base-Base interactions energy: -39.728
where: short stacking energy: -39.728
Base-Backbone interact. energy: 1.982
local terms energy: -56.611556
where:
bonds (distance) C4'-P energy: -9.560
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -11.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -77.661197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.661197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.661197 (E_RNA)
where:
Base-Base interactions energy: -34.110
where: short stacking energy: -22.322
Base-Backbone interact. energy: -0.006
local terms energy: -43.544933
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -9.668
flat angles P-C4'-P energy: -4.732
tors. eta vs tors. theta energy: -2.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -68.299039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.299039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.299039 (E_RNA)
where:
Base-Base interactions energy: -30.308
where: short stacking energy: -21.185
Base-Backbone interact. energy: -0.100
local terms energy: -37.891854
where:
bonds (distance) C4'-P energy: -8.929
bonds (distance) P-C4' energy: -8.565
flat angles C4'-P-C4' energy: -11.143
flat angles P-C4'-P energy: -6.140
tors. eta vs tors. theta energy: -3.115
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: 7
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -85.686102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.686102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.686102 (E_RNA)
where:
Base-Base interactions energy: -42.410
where: short stacking energy: -30.993
Base-Backbone interact. energy: -0.009
local terms energy: -43.266949
where:
bonds (distance) C4'-P energy: -8.830
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -2.458
tors. eta vs tors. theta energy: -7.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -73.351917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.351917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.351917 (E_RNA)
where:
Base-Base interactions energy: -32.754
where: short stacking energy: -32.754
Base-Backbone interact. energy: -0.051
local terms energy: -40.546235
where:
bonds (distance) C4'-P energy: -10.009
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -3.301
tors. eta vs tors. theta energy: -4.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -66.313420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.313420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.313420 (E_RNA)
where:
Base-Base interactions energy: -18.642
where: short stacking energy: -11.489
Base-Backbone interact. energy: 0.785
local terms energy: -48.456297
where:
bonds (distance) C4'-P energy: -11.380
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -2.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -72.879521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.879521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.879521 (E_RNA)
where:
Base-Base interactions energy: -27.356
where: short stacking energy: -27.356
Base-Backbone interact. energy: -0.004
local terms energy: -45.519699
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -9.204
flat angles C4'-P-C4' energy: -10.086
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -7.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -142.434334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.434334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.434334 (E_RNA)
where:
Base-Base interactions energy: -82.728
where: short stacking energy: -50.889
Base-Backbone interact. energy: 0.426
local terms energy: -60.131975
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -15.990
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: 5
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -125.180491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.180491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.180491 (E_RNA)
where:
Base-Base interactions energy: -71.466
where: short stacking energy: -41.995
Base-Backbone interact. energy: -0.115
local terms energy: -53.599405
where:
bonds (distance) C4'-P energy: -11.430
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -9.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -126.892768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.892768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.892768 (E_RNA)
where:
Base-Base interactions energy: -73.760
where: short stacking energy: -40.874
Base-Backbone interact. energy: -0.079
local terms energy: -53.053518
where:
bonds (distance) C4'-P energy: -7.229
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -5.786
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: 6
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -89.886387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.886387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.886387 (E_RNA)
where:
Base-Base interactions energy: -39.916
where: short stacking energy: -39.916
Base-Backbone interact. energy: -0.085
local terms energy: -49.884962
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -11.203
flat angles C4'-P-C4' energy: -10.531
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -8.501
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: 1
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -103.027807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.027807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.027807 (E_RNA)
where:
Base-Base interactions energy: -52.215
where: short stacking energy: -28.451
Base-Backbone interact. energy: -0.058
local terms energy: -50.754210
where:
bonds (distance) C4'-P energy: -10.536
bonds (distance) P-C4' energy: -10.415
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: -8.833
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: 7
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -77.979234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.979234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.979234 (E_RNA)
where:
Base-Base interactions energy: -32.895
where: short stacking energy: -32.895
Base-Backbone interact. energy: 0.920
local terms energy: -46.004539
where:
bonds (distance) C4'-P energy: -8.942
bonds (distance) P-C4' energy: -14.171
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -5.868
tors. eta vs tors. theta energy: -4.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -89.816119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.816119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.816119 (E_RNA)
where:
Base-Base interactions energy: -39.641
where: short stacking energy: -39.641
Base-Backbone interact. energy: -0.062
local terms energy: -50.113550
where:
bonds (distance) C4'-P energy: -8.268
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -5.784
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: 8, replica: 10
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -67.602039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.602039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.602039 (E_RNA)
where:
Base-Base interactions energy: -24.878
where: short stacking energy: -23.741
Base-Backbone interact. energy: -0.014
local terms energy: -42.709669
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -12.074
flat angles C4'-P-C4' energy: -8.924
flat angles P-C4'-P energy: -5.506
tors. eta vs tors. theta energy: -4.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -69.249030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.249030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.249030 (E_RNA)
where:
Base-Base interactions energy: -19.952
where: short stacking energy: -19.380
Base-Backbone interact. energy: -0.222
local terms energy: -49.075354
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -8.383
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -4.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -67.260006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.260006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.260006 (E_RNA)
where:
Base-Base interactions energy: -23.659
where: short stacking energy: -23.659
Base-Backbone interact. energy: -0.123
local terms energy: -43.478308
where:
bonds (distance) C4'-P energy: -7.551
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -9.189
flat angles P-C4'-P energy: -5.342
tors. eta vs tors. theta energy: -7.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -132.772175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.772175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.772175 (E_RNA)
where:
Base-Base interactions energy: -75.164
where: short stacking energy: -41.589
Base-Backbone interact. energy: -0.063
local terms energy: -57.544502
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -11.180
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: -12.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -134.380296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.380296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.380296 (E_RNA)
where:
Base-Base interactions energy: -82.481
where: short stacking energy: -48.326
Base-Backbone interact. energy: 1.120
local terms energy: -53.019220
where:
bonds (distance) C4'-P energy: -9.005
bonds (distance) P-C4' energy: -11.316
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -12.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -128.226023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.226023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.226023 (E_RNA)
where:
Base-Base interactions energy: -72.772
where: short stacking energy: -47.685
Base-Backbone interact. energy: -0.003
local terms energy: -55.451165
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -11.365
flat angles C4'-P-C4' energy: -10.007
flat angles P-C4'-P energy: -6.831
tors. eta vs tors. theta energy: -14.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -95.210248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.210248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.210248 (E_RNA)
where:
Base-Base interactions energy: -44.408
where: short stacking energy: -44.408
Base-Backbone interact. energy: -0.002
local terms energy: -50.800256
where:
bonds (distance) C4'-P energy: -8.259
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -11.195
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: 7
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -85.102848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.102848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.102848 (E_RNA)
where:
Base-Base interactions energy: -36.034
where: short stacking energy: -36.034
Base-Backbone interact. energy: -0.005
local terms energy: -49.063001
where:
bonds (distance) C4'-P energy: -10.599
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -10.947
flat angles P-C4'-P energy: -4.464
tors. eta vs tors. theta energy: -10.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -80.663193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.663193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.663193 (E_RNA)
where:
Base-Base interactions energy: -36.608
where: short stacking energy: -36.608
Base-Backbone interact. energy: 0.114
local terms energy: -44.168985
where:
bonds (distance) C4'-P energy: -6.517
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -8.067
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -9.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -65.228280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.228280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.228280 (E_RNA)
where:
Base-Base interactions energy: -30.301
where: short stacking energy: -26.909
Base-Backbone interact. energy: -0.031
local terms energy: -34.896450
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -10.362
flat angles C4'-P-C4' energy: -6.663
flat angles P-C4'-P energy: -1.902
tors. eta vs tors. theta energy: -3.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -67.759058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.759058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.759058 (E_RNA)
where:
Base-Base interactions energy: -25.307
where: short stacking energy: -25.307
Base-Backbone interact. energy: -0.146
local terms energy: -42.305965
where:
bonds (distance) C4'-P energy: -9.827
bonds (distance) P-C4' energy: -9.694
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -3.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -63.354628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.354628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.354628 (E_RNA)
where:
Base-Base interactions energy: -23.707
where: short stacking energy: -23.707
Base-Backbone interact. energy: -0.111
local terms energy: -39.537067
where:
bonds (distance) C4'-P energy: -6.202
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -9.343
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -1.590
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: 3
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -66.450121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.450121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.450121 (E_RNA)
where:
Base-Base interactions energy: -23.116
where: short stacking energy: -23.116
Base-Backbone interact. energy: -0.003
local terms energy: -43.330992
where:
bonds (distance) C4'-P energy: -9.030
bonds (distance) P-C4' energy: -10.332
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -4.357
tors. eta vs tors. theta energy: -6.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -137.166521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.166521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.166521 (E_RNA)
where:
Base-Base interactions energy: -76.523
where: short stacking energy: -51.131
Base-Backbone interact. energy: -0.182
local terms energy: -60.461594
where:
bonds (distance) C4'-P energy: -9.758
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -15.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -146.520446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.520446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.520446 (E_RNA)
where:
Base-Base interactions energy: -87.270
where: short stacking energy: -48.170
Base-Backbone interact. energy: -0.025
local terms energy: -59.224874
where:
bonds (distance) C4'-P energy: -9.642
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -6.345
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: 3, replica: 8
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -142.782905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.782905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.782905 (E_RNA)
where:
Base-Base interactions energy: -81.166
where: short stacking energy: -51.227
Base-Backbone interact. energy: -0.009
local terms energy: -61.607934
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -7.614
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: 4, replica: 7
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -90.823709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.823709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.823709 (E_RNA)
where:
Base-Base interactions energy: -46.742
where: short stacking energy: -25.243
Base-Backbone interact. energy: -0.669
local terms energy: -43.413282
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -10.563
flat angles C4'-P-C4' energy: -9.349
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -3.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -80.196085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.196085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.196085 (E_RNA)
where:
Base-Base interactions energy: -34.194
where: short stacking energy: -34.194
Base-Backbone interact. energy: -0.157
local terms energy: -45.845702
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -8.272
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: -6.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -84.947274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.947274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.947274 (E_RNA)
where:
Base-Base interactions energy: -38.215
where: short stacking energy: -31.059
Base-Backbone interact. energy: -0.118
local terms energy: -46.613642
where:
bonds (distance) C4'-P energy: -10.628
bonds (distance) P-C4' energy: -7.409
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -7.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -69.897904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.897904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.897904 (E_RNA)
where:
Base-Base interactions energy: -32.111
where: short stacking energy: -32.111
Base-Backbone interact. energy: -0.124
local terms energy: -37.662713
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -6.786
flat angles P-C4'-P energy: -2.169
tors. eta vs tors. theta energy: -2.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -74.319219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.319219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.319219 (E_RNA)
where:
Base-Base interactions energy: -31.826
where: short stacking energy: -27.623
Base-Backbone interact. energy: -0.151
local terms energy: -42.342543
where:
bonds (distance) C4'-P energy: -11.729
bonds (distance) P-C4' energy: -11.044
flat angles C4'-P-C4' energy: -9.148
flat angles P-C4'-P energy: -5.432
tors. eta vs tors. theta energy: -4.989
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: 9, replica: 9
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -64.994320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.994320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.994320 (E_RNA)
where:
Base-Base interactions energy: -27.653
where: short stacking energy: -24.848
Base-Backbone interact. energy: -0.202
local terms energy: -37.139210
where:
bonds (distance) C4'-P energy: -8.379
bonds (distance) P-C4' energy: -7.641
flat angles C4'-P-C4' energy: -10.194
flat angles P-C4'-P energy: -5.508
tors. eta vs tors. theta energy: -5.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -88.030465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.030465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.030465 (E_RNA)
where:
Base-Base interactions energy: -52.492
where: short stacking energy: -33.075
Base-Backbone interact. energy: -0.138
local terms energy: -35.400838
where:
bonds (distance) C4'-P energy: -7.411
bonds (distance) P-C4' energy: -9.151
flat angles C4'-P-C4' energy: -8.356
flat angles P-C4'-P energy: -3.691
tors. eta vs tors. theta energy: -6.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -145.410415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.410415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.410415 (E_RNA)
where:
Base-Base interactions energy: -86.997
where: short stacking energy: -52.633
Base-Backbone interact. energy: -0.007
local terms energy: -58.406245
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -10.270
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -14.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -142.563251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.563251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.563251 (E_RNA)
where:
Base-Base interactions energy: -83.732
where: short stacking energy: -54.375
Base-Backbone interact. energy: -0.034
local terms energy: -58.796961
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -5.381
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: 3, replica: 8
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -123.030105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.030105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.030105 (E_RNA)
where:
Base-Base interactions energy: -78.911
where: short stacking energy: -42.179
Base-Backbone interact. energy: -0.106
local terms energy: -44.013134
where:
bonds (distance) C4'-P energy: -6.964
bonds (distance) P-C4' energy: -8.570
flat angles C4'-P-C4' energy: -11.159
flat angles P-C4'-P energy: -6.727
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: 4, replica: 7
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -94.293107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.293107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.293107 (E_RNA)
where:
Base-Base interactions energy: -38.240
where: short stacking energy: -38.240
Base-Backbone interact. energy: -0.001
local terms energy: -56.052351
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -9.445
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: 6
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -86.946874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.946874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.946874 (E_RNA)
where:
Base-Base interactions energy: -33.191
where: short stacking energy: -33.191
Base-Backbone interact. energy: -0.050
local terms energy: -53.705702
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -6.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -73.329265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.329265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.329265 (E_RNA)
where:
Base-Base interactions energy: -28.741
where: short stacking energy: -26.629
Base-Backbone interact. energy: -0.021
local terms energy: -44.568004
where:
bonds (distance) C4'-P energy: -7.878
bonds (distance) P-C4' energy: -11.075
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -3.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -79.802814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.802814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.802814 (E_RNA)
where:
Base-Base interactions energy: -34.195
where: short stacking energy: -33.906
Base-Backbone interact. energy: -0.025
local terms energy: -45.582305
where:
bonds (distance) C4'-P energy: -9.940
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -10.231
flat angles P-C4'-P energy: -4.030
tors. eta vs tors. theta energy: -9.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -65.117280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.117280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.117280 (E_RNA)
where:
Base-Base interactions energy: -30.238
where: short stacking energy: -21.360
Base-Backbone interact. energy: -0.022
local terms energy: -34.856662
where:
bonds (distance) C4'-P energy: -7.111
bonds (distance) P-C4' energy: -10.216
flat angles C4'-P-C4' energy: -10.997
flat angles P-C4'-P energy: -5.184
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: 9, replica: 3
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -73.040331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.040331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.040331 (E_RNA)
where:
Base-Base interactions energy: -32.816
where: short stacking energy: -21.678
Base-Backbone interact. energy: -0.021
local terms energy: -40.203286
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -11.860
flat angles C4'-P-C4' energy: -7.811
flat angles P-C4'-P energy: -5.871
tors. eta vs tors. theta energy: -2.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -62.433401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.433401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.433401 (E_RNA)
where:
Base-Base interactions energy: -25.042
where: short stacking energy: -20.986
Base-Backbone interact. energy: -0.660
local terms energy: -36.731977
where:
bonds (distance) C4'-P energy: -9.248
bonds (distance) P-C4' energy: -9.240
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: 0.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -152.155676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.155676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.155676 (E_RNA)
where:
Base-Base interactions energy: -91.861
where: short stacking energy: -54.364
Base-Backbone interact. energy: -0.002
local terms energy: -60.292852
where:
bonds (distance) C4'-P energy: -10.184
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -15.566
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: 5
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -144.054802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.054802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.054802 (E_RNA)
where:
Base-Base interactions energy: -84.038
where: short stacking energy: -54.510
Base-Backbone interact. energy: 0.543
local terms energy: -60.560346
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -10.212
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -16.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -113.945058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.945058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.945058 (E_RNA)
where:
Base-Base interactions energy: -65.528
where: short stacking energy: -37.307
Base-Backbone interact. energy: 1.063
local terms energy: -49.480189
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -11.496
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -4.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -93.930558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.930558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.930558 (E_RNA)
where:
Base-Base interactions energy: -39.213
where: short stacking energy: -39.213
Base-Backbone interact. energy: -0.012
local terms energy: -54.705650
where:
bonds (distance) C4'-P energy: -9.290
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -12.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -75.668279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.668279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.668279 (E_RNA)
where:
Base-Base interactions energy: -31.484
where: short stacking energy: -31.484
Base-Backbone interact. energy: -0.154
local terms energy: -44.030071
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -8.018
flat angles P-C4'-P energy: -6.438
tors. eta vs tors. theta energy: -3.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -95.953441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.953441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.953441 (E_RNA)
where:
Base-Base interactions energy: -38.434
where: short stacking energy: -37.934
Base-Backbone interact. energy: -0.186
local terms energy: -57.332790
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -10.189
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -12.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -72.056602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.056602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.056602 (E_RNA)
where:
Base-Base interactions energy: -32.437
where: short stacking energy: -28.626
Base-Backbone interact. energy: -0.022
local terms energy: -39.598017
where:
bonds (distance) C4'-P energy: -7.895
bonds (distance) P-C4' energy: -7.679
flat angles C4'-P-C4' energy: -9.160
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -6.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -67.119902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.119902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.119902 (E_RNA)
where:
Base-Base interactions energy: -22.658
where: short stacking energy: -22.658
Base-Backbone interact. energy: -0.071
local terms energy: -44.391237
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -8.191
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -3.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -64.170897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.170897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.170897 (E_RNA)
where:
Base-Base interactions energy: -20.510
where: short stacking energy: -20.492
Base-Backbone interact. energy: -0.096
local terms energy: -43.565270
where:
bonds (distance) C4'-P energy: -10.652
bonds (distance) P-C4' energy: -7.556
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -6.765
tors. eta vs tors. theta energy: -6.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -67.423450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.423450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.423450 (E_RNA)
where:
Base-Base interactions energy: -24.518
where: short stacking energy: -24.518
Base-Backbone interact. energy: -0.244
local terms energy: -42.661540
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -10.798
flat angles C4'-P-C4' energy: -10.327
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: -3.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -138.647532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.647532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.647532 (E_RNA)
where:
Base-Base interactions energy: -81.578
where: short stacking energy: -50.961
Base-Backbone interact. energy: -0.026
local terms energy: -57.042819
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -10.677
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -12.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -138.878643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.878643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.878643 (E_RNA)
where:
Base-Base interactions energy: -84.403
where: short stacking energy: -48.938
Base-Backbone interact. energy: -0.006
local terms energy: -54.469536
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -6.609
tors. eta vs tors. theta energy: -11.285
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: 8
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -132.359020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.359020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.359020 (E_RNA)
where:
Base-Base interactions energy: -70.542
where: short stacking energy: -46.644
Base-Backbone interact. energy: -0.087
local terms energy: -61.730221
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -8.283
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: 4, replica: 6
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -87.574301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.574301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.574301 (E_RNA)
where:
Base-Base interactions energy: -38.224
where: short stacking energy: -38.224
Base-Backbone interact. energy: 2.019
local terms energy: -51.369324
where:
bonds (distance) C4'-P energy: -13.670
bonds (distance) P-C4' energy: -10.231
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -5.772
tors. eta vs tors. theta energy: -9.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -96.745689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.745689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.745689 (E_RNA)
where:
Base-Base interactions energy: -43.960
where: short stacking energy: -43.960
Base-Backbone interact. energy: -0.008
local terms energy: -52.778074
where:
bonds (distance) C4'-P energy: -11.852
bonds (distance) P-C4' energy: -10.488
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -4.608
tors. eta vs tors. theta energy: -15.617
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: 7
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -78.259860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.259860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.259860 (E_RNA)
where:
Base-Base interactions energy: -32.037
where: short stacking energy: -32.037
Base-Backbone interact. energy: -0.044
local terms energy: -46.179074
where:
bonds (distance) C4'-P energy: -5.370
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -6.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -71.176757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.176757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.176757 (E_RNA)
where:
Base-Base interactions energy: -28.977
where: short stacking energy: -25.843
Base-Backbone interact. energy: -0.014
local terms energy: -42.185874
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -9.734
flat angles C4'-P-C4' energy: -6.913
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -4.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -71.570788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.570788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.570788 (E_RNA)
where:
Base-Base interactions energy: -25.135
where: short stacking energy: -25.135
Base-Backbone interact. energy: -0.113
local terms energy: -46.321876
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -10.157
flat angles C4'-P-C4' energy: -10.276
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -3.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -71.232488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.232488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.232488 (E_RNA)
where:
Base-Base interactions energy: -29.955
where: short stacking energy: -29.955
Base-Backbone interact. energy: -0.029
local terms energy: -41.248268
where:
bonds (distance) C4'-P energy: -8.118
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -8.359
flat angles P-C4'-P energy: -3.488
tors. eta vs tors. theta energy: -7.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -63.528688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.528688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.528688 (E_RNA)
where:
Base-Base interactions energy: -26.808
where: short stacking energy: -25.809
Base-Backbone interact. energy: -0.017
local terms energy: -36.703192
where:
bonds (distance) C4'-P energy: -8.239
bonds (distance) P-C4' energy: -9.988
flat angles C4'-P-C4' energy: -6.572
flat angles P-C4'-P energy: -5.938
tors. eta vs tors. theta energy: -5.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -123.591839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.591839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.591839 (E_RNA)
where:
Base-Base interactions energy: -70.315
where: short stacking energy: -42.490
Base-Backbone interact. energy: -0.096
local terms energy: -53.180784
where:
bonds (distance) C4'-P energy: -11.260
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -10.775
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -10.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -149.783166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.783166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.783166 (E_RNA)
where:
Base-Base interactions energy: -94.647
where: short stacking energy: -53.635
Base-Backbone interact. energy: 1.875
local terms energy: -57.010270
where:
bonds (distance) C4'-P energy: -11.778
bonds (distance) P-C4' energy: -10.155
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -13.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -123.452911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.452911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.452911 (E_RNA)
where:
Base-Base interactions energy: -66.125
where: short stacking energy: -38.284
Base-Backbone interact. energy: -0.002
local terms energy: -57.325640
where:
bonds (distance) C4'-P energy: -11.745
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -11.768
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -13.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -98.898378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.898378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.898378 (E_RNA)
where:
Base-Base interactions energy: -48.268
where: short stacking energy: -40.503
Base-Backbone interact. energy: -0.080
local terms energy: -50.550202
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -6.421
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: 5, replica: 6
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -82.316019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.316019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.316019 (E_RNA)
where:
Base-Base interactions energy: -38.165
where: short stacking energy: -28.592
Base-Backbone interact. energy: -0.090
local terms energy: -44.061801
where:
bonds (distance) C4'-P energy: -10.491
bonds (distance) P-C4' energy: -11.988
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -2.962
tors. eta vs tors. theta energy: -5.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -80.083262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.083262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.083262 (E_RNA)
where:
Base-Base interactions energy: -24.428
where: short stacking energy: -24.428
Base-Backbone interact. energy: -0.000
local terms energy: -55.654866
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -7.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -67.500784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.500784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.500784 (E_RNA)
where:
Base-Base interactions energy: -25.416
where: short stacking energy: -25.416
Base-Backbone interact. energy: 0.068
local terms energy: -42.152991
where:
bonds (distance) C4'-P energy: -7.212
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -8.879
flat angles P-C4'-P energy: -6.225
tors. eta vs tors. theta energy: -6.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -71.986994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.986994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.986994 (E_RNA)
where:
Base-Base interactions energy: -25.558
where: short stacking energy: -25.558
Base-Backbone interact. energy: -0.072
local terms energy: -46.356722
where:
bonds (distance) C4'-P energy: -11.762
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -0.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -66.712162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.712162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.712162 (E_RNA)
where:
Base-Base interactions energy: -29.688
where: short stacking energy: -29.688
Base-Backbone interact. energy: -0.104
local terms energy: -36.919611
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -9.122
flat angles C4'-P-C4' energy: -6.441
flat angles P-C4'-P energy: -4.573
tors. eta vs tors. theta energy: -5.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -63.012803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.012803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.012803 (E_RNA)
where:
Base-Base interactions energy: -27.489
where: short stacking energy: -18.554
Base-Backbone interact. energy: -0.040
local terms energy: -35.482990
where:
bonds (distance) C4'-P energy: -7.941
bonds (distance) P-C4' energy: -13.168
flat angles C4'-P-C4' energy: -6.732
flat angles P-C4'-P energy: -7.783
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: 5
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -128.349200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.349200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.349200 (E_RNA)
where:
Base-Base interactions energy: -72.990
where: short stacking energy: -42.204
Base-Backbone interact. energy: -0.041
local terms energy: -55.318005
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: -10.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -142.682183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.682183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.682183 (E_RNA)
where:
Base-Base interactions energy: -81.855
where: short stacking energy: -50.030
Base-Backbone interact. energy: 0.031
local terms energy: -60.858266
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -14.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -115.742230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.742230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.742230 (E_RNA)
where:
Base-Base interactions energy: -64.102
where: short stacking energy: -35.267
Base-Backbone interact. energy: -0.092
local terms energy: -51.548211
where:
bonds (distance) C4'-P energy: -11.538
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -7.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -91.253587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.253587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.253587 (E_RNA)
where:
Base-Base interactions energy: -37.125
where: short stacking energy: -37.125
Base-Backbone interact. energy: -0.071
local terms energy: -54.057127
where:
bonds (distance) C4'-P energy: -11.244
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -4.844
tors. eta vs tors. theta energy: -12.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -84.043515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.043515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.043515 (E_RNA)
where:
Base-Base interactions energy: -33.778
where: short stacking energy: -33.778
Base-Backbone interact. energy: -0.005
local terms energy: -50.260275
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -4.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -85.338286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.338286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.338286 (E_RNA)
where:
Base-Base interactions energy: -39.103
where: short stacking energy: -28.072
Base-Backbone interact. energy: -0.078
local terms energy: -46.157203
where:
bonds (distance) C4'-P energy: -10.371
bonds (distance) P-C4' energy: -13.632
flat angles C4'-P-C4' energy: -10.514
flat angles P-C4'-P energy: -6.149
tors. eta vs tors. theta energy: -5.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -74.720818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.720818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.720818 (E_RNA)
where:
Base-Base interactions energy: -34.083
where: short stacking energy: -20.248
Base-Backbone interact. energy: -0.123
local terms energy: -40.515077
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -5.059
tors. eta vs tors. theta energy: 2.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -64.712236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.712236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.712236 (E_RNA)
where:
Base-Base interactions energy: -28.108
where: short stacking energy: -23.435
Base-Backbone interact. energy: -0.195
local terms energy: -36.409221
where:
bonds (distance) C4'-P energy: -10.520
bonds (distance) P-C4' energy: -9.739
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -2.007
tors. eta vs tors. theta energy: -3.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -70.301527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.301527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.301527 (E_RNA)
where:
Base-Base interactions energy: -19.933
where: short stacking energy: -19.933
Base-Backbone interact. energy: -0.000
local terms energy: -50.367646
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -12.901
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -3.015
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: 3
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -69.029369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.029369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.029369 (E_RNA)
where:
Base-Base interactions energy: -22.868
where: short stacking energy: -22.868
Base-Backbone interact. energy: -0.044
local terms energy: -46.117447
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -12.063
flat angles C4'-P-C4' energy: -11.430
flat angles P-C4'-P energy: -6.968
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: 5
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -133.075152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.075152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.075152 (E_RNA)
where:
Base-Base interactions energy: -79.712
where: short stacking energy: -48.855
Base-Backbone interact. energy: -0.003
local terms energy: -53.360285
where:
bonds (distance) C4'-P energy: -10.110
bonds (distance) P-C4' energy: -10.554
flat angles C4'-P-C4' energy: -12.108
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: -13.217
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: 4
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -143.330754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.330754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.330754 (E_RNA)
where:
Base-Base interactions energy: -85.809
where: short stacking energy: -51.597
Base-Backbone interact. energy: -0.044
local terms energy: -57.478167
where:
bonds (distance) C4'-P energy: -11.016
bonds (distance) P-C4' energy: -9.703
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -8.427
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: 3, replica: 8
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -125.686628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.686628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.686628 (E_RNA)
where:
Base-Base interactions energy: -73.058
where: short stacking energy: -43.389
Base-Backbone interact. energy: -0.006
local terms energy: -52.622854
where:
bonds (distance) C4'-P energy: -10.358
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -2.025
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: 4, replica: 7
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -94.804230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.804230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.804230 (E_RNA)
where:
Base-Base interactions energy: -46.530
where: short stacking energy: -36.660
Base-Backbone interact. energy: -0.002
local terms energy: -48.272372
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -2.194
tors. eta vs tors. theta energy: -8.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -80.736190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.736190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.736190 (E_RNA)
where:
Base-Base interactions energy: -30.053
where: short stacking energy: -30.053
Base-Backbone interact. energy: -0.086
local terms energy: -50.596970
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -8.955
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -8.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -71.587052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.587052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.587052 (E_RNA)
where:
Base-Base interactions energy: -31.128
where: short stacking energy: -31.128
Base-Backbone interact. energy: -0.379
local terms energy: -40.081014
where:
bonds (distance) C4'-P energy: -9.412
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -6.613
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -2.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -63.540425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.540425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.540425 (E_RNA)
where:
Base-Base interactions energy: -24.612
where: short stacking energy: -24.612
Base-Backbone interact. energy: -0.077
local terms energy: -38.851123
where:
bonds (distance) C4'-P energy: -8.967
bonds (distance) P-C4' energy: -7.908
flat angles C4'-P-C4' energy: -9.099
flat angles P-C4'-P energy: -6.796
tors. eta vs tors. theta energy: -6.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -72.986022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.986022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.986022 (E_RNA)
where:
Base-Base interactions energy: -29.224
where: short stacking energy: -29.224
Base-Backbone interact. energy: -0.038
local terms energy: -43.724489
where:
bonds (distance) C4'-P energy: -11.069
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -7.895
flat angles P-C4'-P energy: -5.274
tors. eta vs tors. theta energy: -8.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -60.861158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.861158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.861158 (E_RNA)
where:
Base-Base interactions energy: -20.330
where: short stacking energy: -19.357
Base-Backbone interact. energy: -0.228
local terms energy: -40.303390
where:
bonds (distance) C4'-P energy: -9.985
bonds (distance) P-C4' energy: -9.616
flat angles C4'-P-C4' energy: -11.210
flat angles P-C4'-P energy: -6.323
tors. eta vs tors. theta energy: -3.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -62.255942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.255942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.255942 (E_RNA)
where:
Base-Base interactions energy: -23.286
where: short stacking energy: -23.286
Base-Backbone interact. energy: -0.100
local terms energy: -38.870281
where:
bonds (distance) C4'-P energy: -10.573
bonds (distance) P-C4' energy: -11.473
flat angles C4'-P-C4' energy: -7.302
flat angles P-C4'-P energy: -4.675
tors. eta vs tors. theta energy: -4.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -138.534556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.534556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.534556 (E_RNA)
where:
Base-Base interactions energy: -81.280
where: short stacking energy: -46.103
Base-Backbone interact. energy: -0.094
local terms energy: -57.160984
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: -10.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -133.297884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.297884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.297884 (E_RNA)
where:
Base-Base interactions energy: -82.210
where: short stacking energy: -42.432
Base-Backbone interact. energy: -0.014
local terms energy: -51.073878
where:
bonds (distance) C4'-P energy: -8.174
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -11.210
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -8.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -131.755041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.755041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.755041 (E_RNA)
where:
Base-Base interactions energy: -76.337
where: short stacking energy: -40.321
Base-Backbone interact. energy: 0.755
local terms energy: -56.172845
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -11.396
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -10.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -94.745351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.745351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.745351 (E_RNA)
where:
Base-Base interactions energy: -46.462
where: short stacking energy: -46.462
Base-Backbone interact. energy: -0.043
local terms energy: -48.240656
where:
bonds (distance) C4'-P energy: -8.620
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: -8.015
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: 6
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -78.287993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.287993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.287993 (E_RNA)
where:
Base-Base interactions energy: -31.109
where: short stacking energy: -30.347
Base-Backbone interact. energy: -0.013
local terms energy: -47.166377
where:
bonds (distance) C4'-P energy: -9.721
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: -4.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -86.121331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.121331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.121331 (E_RNA)
where:
Base-Base interactions energy: -34.762
where: short stacking energy: -29.419
Base-Backbone interact. energy: 0.034
local terms energy: -51.393040
where:
bonds (distance) C4'-P energy: -9.009
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -8.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -78.067062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.067062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.067062 (E_RNA)
where:
Base-Base interactions energy: -31.713
where: short stacking energy: -31.713
Base-Backbone interact. energy: -0.000
local terms energy: -46.353924
where:
bonds (distance) C4'-P energy: -10.979
bonds (distance) P-C4' energy: -10.796
flat angles C4'-P-C4' energy: -7.473
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -6.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -70.596455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.596455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.596455 (E_RNA)
where:
Base-Base interactions energy: -31.834
where: short stacking energy: -23.414
Base-Backbone interact. energy: -0.175
local terms energy: -38.587023
where:
bonds (distance) C4'-P energy: -8.699
bonds (distance) P-C4' energy: -10.632
flat angles C4'-P-C4' energy: -11.332
flat angles P-C4'-P energy: -6.101
tors. eta vs tors. theta energy: -1.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -64.136516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.136516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.136516 (E_RNA)
where:
Base-Base interactions energy: -20.702
where: short stacking energy: -20.702
Base-Backbone interact. energy: -0.002
local terms energy: -43.432537
where:
bonds (distance) C4'-P energy: -11.596
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -8.862
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -1.135
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: 10
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -77.613151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.613151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.613151 (E_RNA)
where:
Base-Base interactions energy: -35.835
where: short stacking energy: -33.844
Base-Backbone interact. energy: -0.016
local terms energy: -41.761734
where:
bonds (distance) C4'-P energy: -8.582
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -5.260
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -8.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -137.188712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.188712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.188712 (E_RNA)
where:
Base-Base interactions energy: -84.779
where: short stacking energy: -43.206
Base-Backbone interact. energy: -0.527
local terms energy: -51.882531
where:
bonds (distance) C4'-P energy: -11.331
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -10.312
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -10.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -124.160237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.160237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.160237 (E_RNA)
where:
Base-Base interactions energy: -72.013
where: short stacking energy: -37.015
Base-Backbone interact. energy: -0.096
local terms energy: -52.051705
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -9.484
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -8.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -115.929259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.929259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.929259 (E_RNA)
where:
Base-Base interactions energy: -63.014
where: short stacking energy: -39.772
Base-Backbone interact. energy: -0.014
local terms energy: -52.901531
where:
bonds (distance) C4'-P energy: -10.626
bonds (distance) P-C4' energy: -10.624
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -10.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -80.293798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.293798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.293798 (E_RNA)
where:
Base-Base interactions energy: -37.480
where: short stacking energy: -27.314
Base-Backbone interact. energy: -0.134
local terms energy: -42.679710
where:
bonds (distance) C4'-P energy: -9.332
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -5.275
tors. eta vs tors. theta energy: -4.396
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: 7
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -91.527228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.527228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.527228 (E_RNA)
where:
Base-Base interactions energy: -38.075
where: short stacking energy: -38.075
Base-Backbone interact. energy: -0.002
local terms energy: -53.449790
where:
bonds (distance) C4'-P energy: -10.574
bonds (distance) P-C4' energy: -8.810
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -8.288
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: 9
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -74.445083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.445083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.445083 (E_RNA)
where:
Base-Base interactions energy: -31.813
where: short stacking energy: -31.813
Base-Backbone interact. energy: -0.017
local terms energy: -42.615423
where:
bonds (distance) C4'-P energy: -9.140
bonds (distance) P-C4' energy: -9.385
flat angles C4'-P-C4' energy: -10.164
flat angles P-C4'-P energy: -6.833
tors. eta vs tors. theta energy: -7.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -81.986084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.986084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.986084 (E_RNA)
where:
Base-Base interactions energy: -33.740
where: short stacking energy: -33.740
Base-Backbone interact. energy: -0.099
local terms energy: -48.147019
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -11.034
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -6.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -58.057332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.057332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.057332 (E_RNA)
where:
Base-Base interactions energy: -20.106
where: short stacking energy: -16.359
Base-Backbone interact. energy: -0.238
local terms energy: -37.713158
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -11.945
flat angles C4'-P-C4' energy: -9.422
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: 3.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -69.630319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.630319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.630319 (E_RNA)
where:
Base-Base interactions energy: -21.780
where: short stacking energy: -21.780
Base-Backbone interact. energy: -0.074
local terms energy: -47.776524
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -4.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -61.929650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.929650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.929650 (E_RNA)
where:
Base-Base interactions energy: -22.079
where: short stacking energy: -22.079
Base-Backbone interact. energy: -0.008
local terms energy: -39.843052
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -11.147
flat angles C4'-P-C4' energy: -7.719
flat angles P-C4'-P energy: -4.884
tors. eta vs tors. theta energy: -3.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -133.908008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.908008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.908008 (E_RNA)
where:
Base-Base interactions energy: -77.559
where: short stacking energy: -50.910
Base-Backbone interact. energy: -0.008
local terms energy: -56.341085
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -13.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -132.951114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.951114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.951114 (E_RNA)
where:
Base-Base interactions energy: -79.164
where: short stacking energy: -48.814
Base-Backbone interact. energy: 1.039
local terms energy: -54.825717
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -4.835
tors. eta vs tors. theta energy: -13.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -115.573398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.573398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.573398 (E_RNA)
where:
Base-Base interactions energy: -61.210
where: short stacking energy: -36.549
Base-Backbone interact. energy: -0.101
local terms energy: -54.262556
where:
bonds (distance) C4'-P energy: -10.611
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -6.743
tors. eta vs tors. theta energy: -10.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -79.520564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.520564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.520564 (E_RNA)
where:
Base-Base interactions energy: -35.404
where: short stacking energy: -32.728
Base-Backbone interact. energy: 0.466
local terms energy: -44.582211
where:
bonds (distance) C4'-P energy: -9.084
bonds (distance) P-C4' energy: -9.280
flat angles C4'-P-C4' energy: -8.601
flat angles P-C4'-P energy: -6.339
tors. eta vs tors. theta energy: -11.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -82.383562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.383562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.383562 (E_RNA)
where:
Base-Base interactions energy: -35.565
where: short stacking energy: -35.565
Base-Backbone interact. energy: -0.010
local terms energy: -46.809057
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -1.680
tors. eta vs tors. theta energy: -7.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -72.189480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.189480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.189480 (E_RNA)
where:
Base-Base interactions energy: -25.013
where: short stacking energy: -24.939
Base-Backbone interact. energy: -0.098
local terms energy: -47.078636
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -5.013
tors. eta vs tors. theta energy: -6.209
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: 7, replica: 3
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -73.110977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.110977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.110977 (E_RNA)
where:
Base-Base interactions energy: -26.033
where: short stacking energy: -25.060
Base-Backbone interact. energy: -0.007
local terms energy: -47.071270
where:
bonds (distance) C4'-P energy: -9.547
bonds (distance) P-C4' energy: -11.652
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -5.336
tors. eta vs tors. theta energy: -9.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -66.956590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.956590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.956590 (E_RNA)
where:
Base-Base interactions energy: -27.427
where: short stacking energy: -27.427
Base-Backbone interact. energy: 1.034
local terms energy: -40.564275
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -7.607
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -6.121
tors. eta vs tors. theta energy: -3.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -67.731705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.731705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.731705 (E_RNA)
where:
Base-Base interactions energy: -29.644
where: short stacking energy: -29.644
Base-Backbone interact. energy: -0.011
local terms energy: -38.076384
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -10.536
flat angles C4'-P-C4' energy: -2.367
flat angles P-C4'-P energy: -6.392
tors. eta vs tors. theta energy: -6.043
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: 1
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -60.231668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.231668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.231668 (E_RNA)
where:
Base-Base interactions energy: -31.872
where: short stacking energy: -22.145
Base-Backbone interact. energy: 0.630
local terms energy: -28.989967
where:
bonds (distance) C4'-P energy: -7.098
bonds (distance) P-C4' energy: -9.207
flat angles C4'-P-C4' energy: -9.922
flat angles P-C4'-P energy: -1.870
tors. eta vs tors. theta energy: -0.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -139.448650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.448650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.448650 (E_RNA)
where:
Base-Base interactions energy: -82.491
where: short stacking energy: -46.792
Base-Backbone interact. energy: -0.087
local terms energy: -56.870678
where:
bonds (distance) C4'-P energy: -10.342
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -13.450
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: 4
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -134.635341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.635341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.635341 (E_RNA)
where:
Base-Base interactions energy: -77.366
where: short stacking energy: -50.902
Base-Backbone interact. energy: -0.017
local terms energy: -57.252295
where:
bonds (distance) C4'-P energy: -11.467
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -8.344
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: 3, replica: 8
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -114.540893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.540893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.540893 (E_RNA)
where:
Base-Base interactions energy: -66.520
where: short stacking energy: -40.538
Base-Backbone interact. energy: -0.063
local terms energy: -47.957514
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -7.774
flat angles P-C4'-P energy: -5.420
tors. eta vs tors. theta energy: -10.297
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: 9
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -88.028242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.028242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.028242 (E_RNA)
where:
Base-Base interactions energy: -38.342
where: short stacking energy: -35.562
Base-Backbone interact. energy: -0.068
local terms energy: -49.617404
where:
bonds (distance) C4'-P energy: -11.071
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -5.580
tors. eta vs tors. theta energy: -8.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -86.884933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.884933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.884933 (E_RNA)
where:
Base-Base interactions energy: -40.582
where: short stacking energy: -40.582
Base-Backbone interact. energy: -0.045
local terms energy: -46.257888
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -10.169
flat angles C4'-P-C4' energy: -9.436
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -7.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -78.990592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.990592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.990592 (E_RNA)
where:
Base-Base interactions energy: -34.231
where: short stacking energy: -34.231
Base-Backbone interact. energy: -0.050
local terms energy: -44.710249
where:
bonds (distance) C4'-P energy: -8.964
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -10.749
flat angles P-C4'-P energy: -5.982
tors. eta vs tors. theta energy: -5.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -71.311786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.311786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.311786 (E_RNA)
where:
Base-Base interactions energy: -30.005
where: short stacking energy: -30.005
Base-Backbone interact. energy: -0.004
local terms energy: -41.303264
where:
bonds (distance) C4'-P energy: -10.218
bonds (distance) P-C4' energy: -11.239
flat angles C4'-P-C4' energy: -9.348
flat angles P-C4'-P energy: -6.203
tors. eta vs tors. theta energy: -4.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -70.850033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.850033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.850033 (E_RNA)
where:
Base-Base interactions energy: -26.660
where: short stacking energy: -26.660
Base-Backbone interact. energy: -0.130
local terms energy: -44.059836
where:
bonds (distance) C4'-P energy: -10.101
bonds (distance) P-C4' energy: -10.765
flat angles C4'-P-C4' energy: -10.869
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -5.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -66.840215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.840215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.840215 (E_RNA)
where:
Base-Base interactions energy: -24.332
where: short stacking energy: -24.332
Base-Backbone interact. energy: -0.022
local terms energy: -42.486552
where:
bonds (distance) C4'-P energy: -9.994
bonds (distance) P-C4' energy: -7.943
flat angles C4'-P-C4' energy: -11.161
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -5.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -61.111039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.111039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.111039 (E_RNA)
where:
Base-Base interactions energy: -25.363
where: short stacking energy: -25.363
Base-Backbone interact. energy: -0.067
local terms energy: -35.680694
where:
bonds (distance) C4'-P energy: -10.722
bonds (distance) P-C4' energy: -8.949
flat angles C4'-P-C4' energy: -8.235
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -1.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -135.160401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.160401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.160401 (E_RNA)
where:
Base-Base interactions energy: -78.929
where: short stacking energy: -46.725
Base-Backbone interact. energy: -0.015
local terms energy: -56.217120
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -9.972
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -12.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -131.488173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.488173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.488173 (E_RNA)
where:
Base-Base interactions energy: -76.006
where: short stacking energy: -43.805
Base-Backbone interact. energy: 0.241
local terms energy: -55.723651
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -10.111
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -6.591
tors. eta vs tors. theta energy: -14.965
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: 3, replica: 8
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -130.300986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.300986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.300986 (E_RNA)
where:
Base-Base interactions energy: -79.751
where: short stacking energy: -54.567
Base-Backbone interact. energy: -0.201
local terms energy: -50.348836
where:
bonds (distance) C4'-P energy: -9.538
bonds (distance) P-C4' energy: -10.755
flat angles C4'-P-C4' energy: -11.320
flat angles P-C4'-P energy: -3.606
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: 4, replica: 9
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -89.211651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.211651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.211651 (E_RNA)
where:
Base-Base interactions energy: -37.762
where: short stacking energy: -37.762
Base-Backbone interact. energy: -0.130
local terms energy: -51.320493
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -10.830
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -7.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -76.358097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.358097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.358097 (E_RNA)
where:
Base-Base interactions energy: -39.818
where: short stacking energy: -31.299
Base-Backbone interact. energy: -0.074
local terms energy: -36.466880
where:
bonds (distance) C4'-P energy: -6.119
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -10.012
flat angles P-C4'-P energy: -3.766
tors. eta vs tors. theta energy: -4.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -81.846066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.846066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.846066 (E_RNA)
where:
Base-Base interactions energy: -34.587
where: short stacking energy: -34.587
Base-Backbone interact. energy: -0.001
local terms energy: -47.258376
where:
bonds (distance) C4'-P energy: -10.040
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -9.445
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -6.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -69.311047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.311047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.311047 (E_RNA)
where:
Base-Base interactions energy: -24.739
where: short stacking energy: -24.739
Base-Backbone interact. energy: -0.002
local terms energy: -44.569993
where:
bonds (distance) C4'-P energy: -8.127
bonds (distance) P-C4' energy: -11.286
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -7.464
tors. eta vs tors. theta energy: -6.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -69.996246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.996246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.996246 (E_RNA)
where:
Base-Base interactions energy: -26.713
where: short stacking energy: -26.713
Base-Backbone interact. energy: -0.086
local terms energy: -43.196928
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -6.458
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -5.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -65.652371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.652371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.652371 (E_RNA)
where:
Base-Base interactions energy: -31.776
where: short stacking energy: -21.666
Base-Backbone interact. energy: 0.278
local terms energy: -34.154982
where:
bonds (distance) C4'-P energy: -9.319
bonds (distance) P-C4' energy: -6.034
flat angles C4'-P-C4' energy: -9.152
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: 0.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -61.151174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.151174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.151174 (E_RNA)
where:
Base-Base interactions energy: -28.050
where: short stacking energy: -28.050
Base-Backbone interact. energy: -0.129
local terms energy: -32.972105
where:
bonds (distance) C4'-P energy: -5.163
bonds (distance) P-C4' energy: -9.108
flat angles C4'-P-C4' energy: -8.740
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -2.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -136.412748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.412748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.412748 (E_RNA)
where:
Base-Base interactions energy: -75.458
where: short stacking energy: -49.384
Base-Backbone interact. energy: -0.160
local terms energy: -60.794847
where:
bonds (distance) C4'-P energy: -11.464
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -15.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -130.176174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.176174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.176174 (E_RNA)
where:
Base-Base interactions energy: -75.798
where: short stacking energy: -41.779
Base-Backbone interact. energy: -0.067
local terms energy: -54.310899
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -9.935
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -11.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -126.081727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.081727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.081727 (E_RNA)
where:
Base-Base interactions energy: -71.729
where: short stacking energy: -46.613
Base-Backbone interact. energy: 1.269
local terms energy: -55.621709
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -12.181
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -11.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -106.610341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.610341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.610341 (E_RNA)
where:
Base-Base interactions energy: -51.576
where: short stacking energy: -42.024
Base-Backbone interact. energy: -0.003
local terms energy: -55.031077
where:
bonds (distance) C4'-P energy: -10.627
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -6.180
tors. eta vs tors. theta energy: -12.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -91.581766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.581766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.581766 (E_RNA)
where:
Base-Base interactions energy: -35.176
where: short stacking energy: -35.176
Base-Backbone interact. energy: -0.005
local terms energy: -56.400665
where:
bonds (distance) C4'-P energy: -10.287
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -11.069
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -12.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -76.144338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.144338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.144338 (E_RNA)
where:
Base-Base interactions energy: -31.740
where: short stacking energy: -31.740
Base-Backbone interact. energy: -0.001
local terms energy: -44.403831
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -8.150
flat angles C4'-P-C4' energy: -9.902
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -5.722
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: 6
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -77.944834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.944834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.944834 (E_RNA)
where:
Base-Base interactions energy: -31.158
where: short stacking energy: -31.158
Base-Backbone interact. energy: -0.092
local terms energy: -46.695696
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -6.439
tors. eta vs tors. theta energy: -5.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -77.624321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.624321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.624321 (E_RNA)
where:
Base-Base interactions energy: -28.286
where: short stacking energy: -28.286
Base-Backbone interact. energy: 0.109
local terms energy: -49.447054
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -6.622
tors. eta vs tors. theta energy: -4.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -76.999728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.999728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.999728 (E_RNA)
where:
Base-Base interactions energy: -22.738
where: short stacking energy: -22.738
Base-Backbone interact. energy: -0.093
local terms energy: -54.169102
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -11.865
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -7.275
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: 1
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -73.335936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.335936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.335936 (E_RNA)
where:
Base-Base interactions energy: -24.693
where: short stacking energy: -20.186
Base-Backbone interact. energy: 0.017
local terms energy: -48.660126
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: -2.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -142.748410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.748410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.748410 (E_RNA)
where:
Base-Base interactions energy: -83.428
where: short stacking energy: -50.489
Base-Backbone interact. energy: -0.067
local terms energy: -59.253473
where:
bonds (distance) C4'-P energy: -11.770
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -13.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -139.645826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.645826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.645826 (E_RNA)
where:
Base-Base interactions energy: -81.640
where: short stacking energy: -50.555
Base-Backbone interact. energy: -0.301
local terms energy: -57.704626
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -9.436
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -8.688
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: 3, replica: 8
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -126.449715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.449715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.449715 (E_RNA)
where:
Base-Base interactions energy: -75.604
where: short stacking energy: -41.788
Base-Backbone interact. energy: -0.066
local terms energy: -50.779601
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -3.261
tors. eta vs tors. theta energy: -10.858
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: 4, replica: 3
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -92.695223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.695223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.695223 (E_RNA)
where:
Base-Base interactions energy: -42.206
where: short stacking energy: -42.206
Base-Backbone interact. energy: -0.004
local terms energy: -50.485079
where:
bonds (distance) C4'-P energy: -10.603
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -8.075
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: -12.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -85.029201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.029201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.029201 (E_RNA)
where:
Base-Base interactions energy: -38.957
where: short stacking energy: -36.677
Base-Backbone interact. energy: -0.010
local terms energy: -46.062261
where:
bonds (distance) C4'-P energy: -9.117
bonds (distance) P-C4' energy: -6.947
flat angles C4'-P-C4' energy: -11.412
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -9.394
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: 9
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -82.090640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.090640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.090640 (E_RNA)
where:
Base-Base interactions energy: -36.544
where: short stacking energy: -36.544
Base-Backbone interact. energy: -0.124
local terms energy: -45.422104
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -10.070
flat angles C4'-P-C4' energy: -6.461
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -8.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -78.593975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.593975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.593975 (E_RNA)
where:
Base-Base interactions energy: -35.263
where: short stacking energy: -35.263
Base-Backbone interact. energy: -0.003
local terms energy: -43.328463
where:
bonds (distance) C4'-P energy: -8.708
bonds (distance) P-C4' energy: -11.102
flat angles C4'-P-C4' energy: -8.105
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -7.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -60.788665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.788665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.788665 (E_RNA)
where:
Base-Base interactions energy: -15.512
where: short stacking energy: -16.141
Base-Backbone interact. energy: -0.016
local terms energy: -45.260406
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -11.504
flat angles C4'-P-C4' energy: -11.481
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -3.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -69.330921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.330921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.330921 (E_RNA)
where:
Base-Base interactions energy: -26.958
where: short stacking energy: -26.958
Base-Backbone interact. energy: -0.033
local terms energy: -42.339187
where:
bonds (distance) C4'-P energy: -8.326
bonds (distance) P-C4' energy: -12.318
flat angles C4'-P-C4' energy: -7.013
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -4.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -59.928750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.928750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.928750 (E_RNA)
where:
Base-Base interactions energy: -19.410
where: short stacking energy: -19.410
Base-Backbone interact. energy: -0.116
local terms energy: -40.403212
where:
bonds (distance) C4'-P energy: -10.458
bonds (distance) P-C4' energy: -10.724
flat angles C4'-P-C4' energy: -10.882
flat angles P-C4'-P energy: -9.853
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: 5
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -138.985396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.985396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.985396 (E_RNA)
where:
Base-Base interactions energy: -75.098
where: short stacking energy: -47.528
Base-Backbone interact. energy: -0.090
local terms energy: -63.797459
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -7.764
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: 2, replica: 4
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -137.920193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.920193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.920193 (E_RNA)
where:
Base-Base interactions energy: -82.552
where: short stacking energy: -46.360
Base-Backbone interact. energy: -0.036
local terms energy: -55.331842
where:
bonds (distance) C4'-P energy: -11.091
bonds (distance) P-C4' energy: -11.215
flat angles C4'-P-C4' energy: -9.562
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -13.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -142.745809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.745809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.745809 (E_RNA)
where:
Base-Base interactions energy: -80.510
where: short stacking energy: -52.167
Base-Backbone interact. energy: -0.023
local terms energy: -62.212895
where:
bonds (distance) C4'-P energy: -10.251
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -14.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -87.835356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.835356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.835356 (E_RNA)
where:
Base-Base interactions energy: -35.041
where: short stacking energy: -35.041
Base-Backbone interact. energy: -0.152
local terms energy: -52.642496
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -5.791
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: 5, replica: 10
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -78.866174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.866174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.866174 (E_RNA)
where:
Base-Base interactions energy: -35.426
where: short stacking energy: -35.426
Base-Backbone interact. energy: -0.060
local terms energy: -43.380665
where:
bonds (distance) C4'-P energy: -6.358
bonds (distance) P-C4' energy: -9.076
flat angles C4'-P-C4' energy: -11.023
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -6.552
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: 2
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -79.300851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.300851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.300851 (E_RNA)
where:
Base-Base interactions energy: -39.640
where: short stacking energy: -39.640
Base-Backbone interact. energy: -0.003
local terms energy: -39.658318
where:
bonds (distance) C4'-P energy: -8.859
bonds (distance) P-C4' energy: -7.630
flat angles C4'-P-C4' energy: -10.407
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: -6.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -82.964471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.964471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.964471 (E_RNA)
where:
Base-Base interactions energy: -33.367
where: short stacking energy: -33.367
Base-Backbone interact. energy: -0.090
local terms energy: -49.507579
where:
bonds (distance) C4'-P energy: -11.927
bonds (distance) P-C4' energy: -10.876
flat angles C4'-P-C4' energy: -8.544
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -7.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -69.387064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.387064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.387064 (E_RNA)
where:
Base-Base interactions energy: -26.723
where: short stacking energy: -26.723
Base-Backbone interact. energy: -0.058
local terms energy: -42.606241
where:
bonds (distance) C4'-P energy: -7.662
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -9.730
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -3.111
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: 9, replica: 6
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -64.817468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.817468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.817468 (E_RNA)
where:
Base-Base interactions energy: -26.916
where: short stacking energy: -26.916
Base-Backbone interact. energy: 2.681
local terms energy: -40.582319
where:
bonds (distance) C4'-P energy: -11.266
bonds (distance) P-C4' energy: -11.147
flat angles C4'-P-C4' energy: -9.836
flat angles P-C4'-P energy: -5.173
tors. eta vs tors. theta energy: -3.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -64.196680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.196680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.196680 (E_RNA)
where:
Base-Base interactions energy: -24.832
where: short stacking energy: -20.824
Base-Backbone interact. energy: -0.113
local terms energy: -39.251756
where:
bonds (distance) C4'-P energy: -8.310
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -7.255
tors. eta vs tors. theta energy: 0.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -132.232568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.232568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.232568 (E_RNA)
where:
Base-Base interactions energy: -75.288
where: short stacking energy: -49.489
Base-Backbone interact. energy: -0.096
local terms energy: -56.848545
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -11.341
flat angles C4'-P-C4' energy: -11.124
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -12.718
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: 5
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -122.812985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.812985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.812985 (E_RNA)
where:
Base-Base interactions energy: -72.359
where: short stacking energy: -47.589
Base-Backbone interact. energy: -0.255
local terms energy: -50.199420
where:
bonds (distance) C4'-P energy: -11.646
bonds (distance) P-C4' energy: -9.569
flat angles C4'-P-C4' energy: -12.236
flat angles P-C4'-P energy: -6.854
tors. eta vs tors. theta energy: -9.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -119.995768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.995768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.995768 (E_RNA)
where:
Base-Base interactions energy: -66.742
where: short stacking energy: -43.873
Base-Backbone interact. energy: -0.004
local terms energy: -53.250491
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -10.768
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: -9.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -85.635250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.635250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.635250 (E_RNA)
where:
Base-Base interactions energy: -33.154
where: short stacking energy: -33.154
Base-Backbone interact. energy: -0.171
local terms energy: -52.309469
where:
bonds (distance) C4'-P energy: -10.032
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -7.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -81.276335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.276335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.276335 (E_RNA)
where:
Base-Base interactions energy: -34.139
where: short stacking energy: -34.139
Base-Backbone interact. energy: 0.296
local terms energy: -47.433863
where:
bonds (distance) C4'-P energy: -10.607
bonds (distance) P-C4' energy: -10.359
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -5.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -77.916070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.916070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.916070 (E_RNA)
where:
Base-Base interactions energy: -36.289
where: short stacking energy: -24.256
Base-Backbone interact. energy: -0.137
local terms energy: -41.490008
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -10.401
flat angles C4'-P-C4' energy: -7.985
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -4.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -76.783370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.783370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.783370 (E_RNA)
where:
Base-Base interactions energy: -32.801
where: short stacking energy: -32.801
Base-Backbone interact. energy: -0.040
local terms energy: -43.942524
where:
bonds (distance) C4'-P energy: -5.842
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -9.392
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -7.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -69.667932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.667932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.667932 (E_RNA)
where:
Base-Base interactions energy: -30.223
where: short stacking energy: -30.223
Base-Backbone interact. energy: -0.113
local terms energy: -39.331812
where:
bonds (distance) C4'-P energy: -8.283
bonds (distance) P-C4' energy: -8.622
flat angles C4'-P-C4' energy: -11.803
flat angles P-C4'-P energy: -1.067
tors. eta vs tors. theta energy: -9.558
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: 9, replica: 7
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -66.022427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.022427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.022427 (E_RNA)
where:
Base-Base interactions energy: -25.552
where: short stacking energy: -25.552
Base-Backbone interact. energy: -0.071
local terms energy: -40.399574
where:
bonds (distance) C4'-P energy: -9.451
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -8.438
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -1.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -64.006670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.006670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.006670 (E_RNA)
where:
Base-Base interactions energy: -28.242
where: short stacking energy: -21.615
Base-Backbone interact. energy: -0.110
local terms energy: -35.654733
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -2.187
flat angles P-C4'-P energy: -8.557
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: 1, replica: 4
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -144.743916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.743916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.743916 (E_RNA)
where:
Base-Base interactions energy: -91.022
where: short stacking energy: -58.133
Base-Backbone interact. energy: -0.045
local terms energy: -53.677701
where:
bonds (distance) C4'-P energy: -5.212
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -14.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -126.711367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.711367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.711367 (E_RNA)
where:
Base-Base interactions energy: -67.765
where: short stacking energy: -40.732
Base-Backbone interact. energy: -0.057
local terms energy: -58.889131
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -5.005
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: 3, replica: 5
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -136.166924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.166924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.166924 (E_RNA)
where:
Base-Base interactions energy: -77.112
where: short stacking energy: -49.001
Base-Backbone interact. energy: -0.030
local terms energy: -59.025126
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -10.298
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: 4, replica: 10
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -78.116515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.116515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.116515 (E_RNA)
where:
Base-Base interactions energy: -36.455
where: short stacking energy: -36.455
Base-Backbone interact. energy: -0.176
local terms energy: -41.485758
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -8.024
flat angles C4'-P-C4' energy: -6.882
flat angles P-C4'-P energy: -6.204
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: 5, replica: 3
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -87.390772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.390772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.390772 (E_RNA)
where:
Base-Base interactions energy: -39.550
where: short stacking energy: -39.550
Base-Backbone interact. energy: -0.001
local terms energy: -47.839380
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -10.295
flat angles C4'-P-C4' energy: -11.052
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -9.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -90.108918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.108918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.108918 (E_RNA)
where:
Base-Base interactions energy: -45.009
where: short stacking energy: -45.009
Base-Backbone interact. energy: 0.139
local terms energy: -45.239052
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -5.181
flat angles C4'-P-C4' energy: -9.909
flat angles P-C4'-P energy: -6.064
tors. eta vs tors. theta energy: -12.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -72.248745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.248745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.248745 (E_RNA)
where:
Base-Base interactions energy: -32.006
where: short stacking energy: -22.386
Base-Backbone interact. energy: -0.201
local terms energy: -40.042296
where:
bonds (distance) C4'-P energy: -9.845
bonds (distance) P-C4' energy: -10.747
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -3.889
tors. eta vs tors. theta energy: -3.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -65.749899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.749899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.749899 (E_RNA)
where:
Base-Base interactions energy: -28.351
where: short stacking energy: -22.412
Base-Backbone interact. energy: -0.592
local terms energy: -36.807569
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -7.097
flat angles P-C4'-P energy: -3.250
tors. eta vs tors. theta energy: -1.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -65.845735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.845735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.845735 (E_RNA)
where:
Base-Base interactions energy: -26.414
where: short stacking energy: -26.414
Base-Backbone interact. energy: 1.305
local terms energy: -40.736628
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -11.578
flat angles P-C4'-P energy: -1.930
tors. eta vs tors. theta energy: -4.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -68.437741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.437741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.437741 (E_RNA)
where:
Base-Base interactions energy: -25.445
where: short stacking energy: -25.445
Base-Backbone interact. energy: -0.033
local terms energy: -42.959124
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -8.606
flat angles C4'-P-C4' energy: -5.662
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -6.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -145.262989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.262989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.262989 (E_RNA)
where:
Base-Base interactions energy: -89.583
where: short stacking energy: -51.478
Base-Backbone interact. energy: -0.684
local terms energy: -54.995535
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -6.409
tors. eta vs tors. theta energy: -14.041
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: 8
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -122.298954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.298954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.298954 (E_RNA)
where:
Base-Base interactions energy: -64.128
where: short stacking energy: -37.519
Base-Backbone interact. energy: -0.420
local terms energy: -57.751384
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -9.658
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -13.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -126.945382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.945382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.945382 (E_RNA)
where:
Base-Base interactions energy: -70.503
where: short stacking energy: -38.124
Base-Backbone interact. energy: -0.001
local terms energy: -56.440819
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -11.265
flat angles P-C4'-P energy: -6.073
tors. eta vs tors. theta energy: -14.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -82.767212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.767212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.767212 (E_RNA)
where:
Base-Base interactions energy: -31.735
where: short stacking energy: -31.735
Base-Backbone interact. energy: -0.002
local terms energy: -51.030393
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -12.373
flat angles P-C4'-P energy: -6.393
tors. eta vs tors. theta energy: -7.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -85.654923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.654923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.654923 (E_RNA)
where:
Base-Base interactions energy: -39.591
where: short stacking energy: -39.591
Base-Backbone interact. energy: -0.078
local terms energy: -45.985823
where:
bonds (distance) C4'-P energy: -7.804
bonds (distance) P-C4' energy: -9.417
flat angles C4'-P-C4' energy: -10.980
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -9.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -69.655042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.655042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.655042 (E_RNA)
where:
Base-Base interactions energy: -23.338
where: short stacking energy: -23.052
Base-Backbone interact. energy: -0.054
local terms energy: -46.263222
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -11.931
flat angles C4'-P-C4' energy: -9.133
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -5.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -71.825979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.825979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.825979 (E_RNA)
where:
Base-Base interactions energy: -33.791
where: short stacking energy: -33.791
Base-Backbone interact. energy: -0.244
local terms energy: -37.790720
where:
bonds (distance) C4'-P energy: -9.017
bonds (distance) P-C4' energy: -9.985
flat angles C4'-P-C4' energy: -9.392
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -1.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -64.116419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.116419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.116419 (E_RNA)
where:
Base-Base interactions energy: -22.946
where: short stacking energy: -22.946
Base-Backbone interact. energy: -0.001
local terms energy: -41.169135
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -9.068
flat angles P-C4'-P energy: -2.421
tors. eta vs tors. theta energy: -4.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -69.299027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.299027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.299027 (E_RNA)
where:
Base-Base interactions energy: -24.249
where: short stacking energy: -24.249
Base-Backbone interact. energy: -0.046
local terms energy: -45.004397
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -10.183
flat angles C4'-P-C4' energy: -10.871
flat angles P-C4'-P energy: -6.357
tors. eta vs tors. theta energy: -4.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -61.552076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.552076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.552076 (E_RNA)
where:
Base-Base interactions energy: -28.433
where: short stacking energy: -24.291
Base-Backbone interact. energy: -0.197
local terms energy: -32.922790
where:
bonds (distance) C4'-P energy: -7.216
bonds (distance) P-C4' energy: -10.218
flat angles C4'-P-C4' energy: -8.817
flat angles P-C4'-P energy: -3.831
tors. eta vs tors. theta energy: -2.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -146.510377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.510377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.510377 (E_RNA)
where:
Base-Base interactions energy: -89.486
where: short stacking energy: -55.130
Base-Backbone interact. energy: -0.013
local terms energy: -57.011841
where:
bonds (distance) C4'-P energy: -9.720
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -15.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -129.261955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.261955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.261955 (E_RNA)
where:
Base-Base interactions energy: -71.040
where: short stacking energy: -40.506
Base-Backbone interact. energy: -0.044
local terms energy: -58.177777
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -7.503
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: 3, replica: 8
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -117.893704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.893704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.893704 (E_RNA)
where:
Base-Base interactions energy: -71.705
where: short stacking energy: -46.173
Base-Backbone interact. energy: -0.121
local terms energy: -46.067123
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -8.081
flat angles P-C4'-P energy: -3.581
tors. eta vs tors. theta energy: -9.886
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: 1
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -84.445767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.445767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.445767 (E_RNA)
where:
Base-Base interactions energy: -41.584
where: short stacking energy: -29.013
Base-Backbone interact. energy: -0.137
local terms energy: -42.724152
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -10.160
flat angles C4'-P-C4' energy: -11.087
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: -1.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -81.140174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.140174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.140174 (E_RNA)
where:
Base-Base interactions energy: -36.086
where: short stacking energy: -26.165
Base-Backbone interact. energy: -0.327
local terms energy: -44.727757
where:
bonds (distance) C4'-P energy: -12.585
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -9.462
flat angles P-C4'-P energy: -5.858
tors. eta vs tors. theta energy: -3.512
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: 2
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -82.806121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.806121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.806121 (E_RNA)
where:
Base-Base interactions energy: -32.114
where: short stacking energy: -32.114
Base-Backbone interact. energy: -0.010
local terms energy: -50.681690
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -12.346
flat angles C4'-P-C4' energy: -11.032
flat angles P-C4'-P energy: -8.844
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: 7, replica: 3
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -68.763505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.763505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.763505 (E_RNA)
where:
Base-Base interactions energy: -29.292
where: short stacking energy: -29.292
Base-Backbone interact. energy: -0.804
local terms energy: -38.667431
where:
bonds (distance) C4'-P energy: -9.364
bonds (distance) P-C4' energy: -7.375
flat angles C4'-P-C4' energy: -7.804
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -6.045
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: 7
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -73.279119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.279119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.279119 (E_RNA)
where:
Base-Base interactions energy: -37.223
where: short stacking energy: -26.019
Base-Backbone interact. energy: 0.665
local terms energy: -36.721608
where:
bonds (distance) C4'-P energy: -7.641
bonds (distance) P-C4' energy: -11.832
flat angles C4'-P-C4' energy: -7.321
flat angles P-C4'-P energy: -4.931
tors. eta vs tors. theta energy: -4.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -65.386159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.386159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.386159 (E_RNA)
where:
Base-Base interactions energy: -28.042
where: short stacking energy: -28.042
Base-Backbone interact. energy: 2.325
local terms energy: -39.669415
where:
bonds (distance) C4'-P energy: -9.639
bonds (distance) P-C4' energy: -8.636
flat angles C4'-P-C4' energy: -10.196
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -4.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -63.490365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.490365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.490365 (E_RNA)
where:
Base-Base interactions energy: -29.652
where: short stacking energy: -29.652
Base-Backbone interact. energy: -0.010
local terms energy: -33.828494
where:
bonds (distance) C4'-P energy: -6.206
bonds (distance) P-C4' energy: -8.424
flat angles C4'-P-C4' energy: -5.335
flat angles P-C4'-P energy: -4.624
tors. eta vs tors. theta energy: -9.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -142.105641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.105641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.105641 (E_RNA)
where:
Base-Base interactions energy: -86.472
where: short stacking energy: -52.352
Base-Backbone interact. energy: -0.012
local terms energy: -55.621428
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -10.759
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -8.999
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: 2, replica: 5
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -138.401536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.401536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.401536 (E_RNA)
where:
Base-Base interactions energy: -80.289
where: short stacking energy: -47.965
Base-Backbone interact. energy: -0.015
local terms energy: -58.096882
where:
bonds (distance) C4'-P energy: -10.449
bonds (distance) P-C4' energy: -11.265
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -14.412
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: 8
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -128.032987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.032987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.032987 (E_RNA)
where:
Base-Base interactions energy: -70.688
where: short stacking energy: -45.123
Base-Backbone interact. energy: -0.025
local terms energy: -57.319962
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -14.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -93.275920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.275920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.275920 (E_RNA)
where:
Base-Base interactions energy: -49.353
where: short stacking energy: -39.336
Base-Backbone interact. energy: 0.229
local terms energy: -44.151666
where:
bonds (distance) C4'-P energy: -8.740
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -10.239
flat angles P-C4'-P energy: -5.014
tors. eta vs tors. theta energy: -7.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -80.147472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.147472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.147472 (E_RNA)
where:
Base-Base interactions energy: -34.365
where: short stacking energy: -34.365
Base-Backbone interact. energy: -0.031
local terms energy: -45.751013
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -10.267
flat angles C4'-P-C4' energy: -10.177
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -5.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -86.151870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.151870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.151870 (E_RNA)
where:
Base-Base interactions energy: -38.805
where: short stacking energy: -32.617
Base-Backbone interact. energy: -0.097
local terms energy: -47.249159
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -3.844
tors. eta vs tors. theta energy: -6.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -74.601381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.601381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.601381 (E_RNA)
where:
Base-Base interactions energy: -26.339
where: short stacking energy: -26.339
Base-Backbone interact. energy: -0.056
local terms energy: -48.206477
where:
bonds (distance) C4'-P energy: -9.356
bonds (distance) P-C4' energy: -9.090
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -8.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -75.989704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.989704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.989704 (E_RNA)
where:
Base-Base interactions energy: -31.090
where: short stacking energy: -31.090
Base-Backbone interact. energy: -0.002
local terms energy: -44.897772
where:
bonds (distance) C4'-P energy: -6.082
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -8.875
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -7.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -67.629685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.629685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.629685 (E_RNA)
where:
Base-Base interactions energy: -33.552
where: short stacking energy: -33.552
Base-Backbone interact. energy: -0.005
local terms energy: -34.072506
where:
bonds (distance) C4'-P energy: -3.822
bonds (distance) P-C4' energy: -10.597
flat angles C4'-P-C4' energy: -10.305
flat angles P-C4'-P energy: -4.743
tors. eta vs tors. theta energy: -4.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -58.768279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.768279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.768279 (E_RNA)
where:
Base-Base interactions energy: -16.634
where: short stacking energy: -16.634
Base-Backbone interact. energy: 0.036
local terms energy: -42.169880
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -9.630
flat angles C4'-P-C4' energy: -10.449
flat angles P-C4'-P energy: -7.196
tors. eta vs tors. theta energy: -1.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -144.683111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.683111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.683111 (E_RNA)
where:
Base-Base interactions energy: -89.626
where: short stacking energy: -56.586
Base-Backbone interact. energy: -0.075
local terms energy: -54.982166
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -5.963
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -14.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -129.773230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.773230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.773230 (E_RNA)
where:
Base-Base interactions energy: -79.260
where: short stacking energy: -42.296
Base-Backbone interact. energy: -0.001
local terms energy: -50.512405
where:
bonds (distance) C4'-P energy: -7.083
bonds (distance) P-C4' energy: -11.287
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -10.353
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: 8
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -131.813880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.813880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.813880 (E_RNA)
where:
Base-Base interactions energy: -78.130
where: short stacking energy: -42.582
Base-Backbone interact. energy: 0.823
local terms energy: -54.506992
where:
bonds (distance) C4'-P energy: -8.388
bonds (distance) P-C4' energy: -12.675
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -11.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -88.473608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.473608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.473608 (E_RNA)
where:
Base-Base interactions energy: -37.501
where: short stacking energy: -37.501
Base-Backbone interact. energy: -0.121
local terms energy: -50.851222
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -8.129
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -8.872
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: 2
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -79.925877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.925877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.925877 (E_RNA)
where:
Base-Base interactions energy: -36.605
where: short stacking energy: -31.725
Base-Backbone interact. energy: -0.089
local terms energy: -43.231790
where:
bonds (distance) C4'-P energy: -9.915
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -5.267
tors. eta vs tors. theta energy: -5.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -78.834508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.834508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.834508 (E_RNA)
where:
Base-Base interactions energy: -34.111
where: short stacking energy: -31.237
Base-Backbone interact. energy: -0.171
local terms energy: -44.552730
where:
bonds (distance) C4'-P energy: -5.990
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -10.210
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -8.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -68.034546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.034546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.034546 (E_RNA)
where:
Base-Base interactions energy: -29.781
where: short stacking energy: -29.429
Base-Backbone interact. energy: -0.200
local terms energy: -38.053082
where:
bonds (distance) C4'-P energy: -7.465
bonds (distance) P-C4' energy: -8.248
flat angles C4'-P-C4' energy: -10.712
flat angles P-C4'-P energy: -5.796
tors. eta vs tors. theta energy: -5.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -70.445524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.445524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.445524 (E_RNA)
where:
Base-Base interactions energy: -33.287
where: short stacking energy: -28.313
Base-Backbone interact. energy: -0.416
local terms energy: -36.742586
where:
bonds (distance) C4'-P energy: -8.404
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -5.543
flat angles P-C4'-P energy: -0.342
tors. eta vs tors. theta energy: -10.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -59.989022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.989022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.989022 (E_RNA)
where:
Base-Base interactions energy: -20.875
where: short stacking energy: -20.875
Base-Backbone interact. energy: -0.069
local terms energy: -39.045097
where:
bonds (distance) C4'-P energy: -9.199
bonds (distance) P-C4' energy: -7.806
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -2.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -64.009255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.009255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.009255 (E_RNA)
where:
Base-Base interactions energy: -28.765
where: short stacking energy: -28.765
Base-Backbone interact. energy: -0.220
local terms energy: -35.024452
where:
bonds (distance) C4'-P energy: -8.889
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -8.000
flat angles P-C4'-P energy: -5.585
tors. eta vs tors. theta energy: -0.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -126.379560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.379560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.379560 (E_RNA)
where:
Base-Base interactions energy: -77.163
where: short stacking energy: -45.008
Base-Backbone interact. energy: -0.114
local terms energy: -49.102037
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -11.218
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -6.709
tors. eta vs tors. theta energy: -7.076
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: 150
Temperature: 0.950000
Total energy: -142.580995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.580995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.580995 (E_RNA)
where:
Base-Base interactions energy: -86.752
where: short stacking energy: -50.612
Base-Backbone interact. energy: -0.031
local terms energy: -55.797948
where:
bonds (distance) C4'-P energy: -10.885
bonds (distance) P-C4' energy: -11.627
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -13.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -130.294725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.294725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.294725 (E_RNA)
where:
Base-Base interactions energy: -80.222
where: short stacking energy: -45.164
Base-Backbone interact. energy: -0.042
local terms energy: -50.030503
where:
bonds (distance) C4'-P energy: -9.581
bonds (distance) P-C4' energy: -8.678
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -5.304
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: 4, replica: 1
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -91.297910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.297910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.297910 (E_RNA)
where:
Base-Base interactions energy: -43.309
where: short stacking energy: -43.309
Base-Backbone interact. energy: -0.026
local terms energy: -47.963110
where:
bonds (distance) C4'-P energy: -8.376
bonds (distance) P-C4' energy: -8.989
flat angles C4'-P-C4' energy: -9.686
flat angles P-C4'-P energy: -8.972
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: 5, replica: 2
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -84.859685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.859685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.859685 (E_RNA)
where:
Base-Base interactions energy: -36.282
where: short stacking energy: -36.282
Base-Backbone interact. energy: -0.052
local terms energy: -48.525521
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -12.431
flat angles C4'-P-C4' energy: -8.611
flat angles P-C4'-P energy: -6.233
tors. eta vs tors. theta energy: -9.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -82.170743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.170743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.170743 (E_RNA)
where:
Base-Base interactions energy: -31.773
where: short stacking energy: -30.795
Base-Backbone interact. energy: -0.127
local terms energy: -50.270421
where:
bonds (distance) C4'-P energy: -9.435
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -6.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -71.829310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.829310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.829310 (E_RNA)
where:
Base-Base interactions energy: -25.216
where: short stacking energy: -23.670
Base-Backbone interact. energy: -0.104
local terms energy: -46.508827
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -10.824
flat angles P-C4'-P energy: -5.057
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: 8, replica: 10
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -68.736052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.736052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.736052 (E_RNA)
where:
Base-Base interactions energy: -27.633
where: short stacking energy: -27.633
Base-Backbone interact. energy: -0.006
local terms energy: -41.096973
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -11.977
flat angles C4'-P-C4' energy: -8.674
flat angles P-C4'-P energy: -2.470
tors. eta vs tors. theta energy: -7.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -66.547804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.547804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.547804 (E_RNA)
where:
Base-Base interactions energy: -29.981
where: short stacking energy: -29.981
Base-Backbone interact. energy: -0.002
local terms energy: -36.564187
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -7.364
flat angles C4'-P-C4' energy: -10.610
flat angles P-C4'-P energy: -0.602
tors. eta vs tors. theta energy: -6.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -62.066263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.066263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.066263 (E_RNA)
where:
Base-Base interactions energy: -19.912
where: short stacking energy: -20.512
Base-Backbone interact. energy: -0.180
local terms energy: -41.973967
where:
bonds (distance) C4'-P energy: -9.399
bonds (distance) P-C4' energy: -10.628
flat angles C4'-P-C4' energy: -10.688
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -3.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -132.914055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.914055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.914055 (E_RNA)
where:
Base-Base interactions energy: -81.152
where: short stacking energy: -50.553
Base-Backbone interact. energy: -0.244
local terms energy: -51.518542
where:
bonds (distance) C4'-P energy: -6.772
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -9.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -140.304856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.304856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.304856 (E_RNA)
where:
Base-Base interactions energy: -83.430
where: short stacking energy: -52.733
Base-Backbone interact. energy: -0.028
local terms energy: -56.846421
where:
bonds (distance) C4'-P energy: -10.610
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -9.770
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -14.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -118.725214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.725214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.725214 (E_RNA)
where:
Base-Base interactions energy: -68.654
where: short stacking energy: -38.663
Base-Backbone interact. energy: -0.103
local terms energy: -49.968908
where:
bonds (distance) C4'-P energy: -8.214
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -8.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -93.045440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.045440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.045440 (E_RNA)
where:
Base-Base interactions energy: -37.746
where: short stacking energy: -31.740
Base-Backbone interact. energy: -0.095
local terms energy: -55.203885
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -8.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -75.579931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.579931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.579931 (E_RNA)
where:
Base-Base interactions energy: -28.995
where: short stacking energy: -28.995
Base-Backbone interact. energy: -0.154
local terms energy: -46.431026
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -9.364
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -3.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -72.022434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.022434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.022434 (E_RNA)
where:
Base-Base interactions energy: -27.701
where: short stacking energy: -25.133
Base-Backbone interact. energy: 0.446
local terms energy: -44.766833
where:
bonds (distance) C4'-P energy: -10.846
bonds (distance) P-C4' energy: -8.852
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -5.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -70.684311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.684311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.684311 (E_RNA)
where:
Base-Base interactions energy: -27.665
where: short stacking energy: -27.665
Base-Backbone interact. energy: -0.006
local terms energy: -43.013081
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -10.101
flat angles C4'-P-C4' energy: -6.922
flat angles P-C4'-P energy: -5.055
tors. eta vs tors. theta energy: -8.324
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: 10
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -67.965144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.965144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.965144 (E_RNA)
where:
Base-Base interactions energy: -24.869
where: short stacking energy: -24.869
Base-Backbone interact. energy: -0.166
local terms energy: -42.930752
where:
bonds (distance) C4'-P energy: -10.644
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -7.369
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: 9, replica: 3
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -70.711025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.711025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.711025 (E_RNA)
where:
Base-Base interactions energy: -26.340
where: short stacking energy: -26.340
Base-Backbone interact. energy: -0.129
local terms energy: -44.241946
where:
bonds (distance) C4'-P energy: -7.509
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -5.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -72.983882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.983882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.983882 (E_RNA)
where:
Base-Base interactions energy: -27.889
where: short stacking energy: -27.889
Base-Backbone interact. energy: -0.000
local terms energy: -45.094783
where:
bonds (distance) C4'-P energy: -11.832
bonds (distance) P-C4' energy: -6.554
flat angles C4'-P-C4' energy: -11.547
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -7.905
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: 8
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -133.481951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.481951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.481951 (E_RNA)
where:
Base-Base interactions energy: -82.693
where: short stacking energy: -45.990
Base-Backbone interact. energy: -0.140
local terms energy: -50.648614
where:
bonds (distance) C4'-P energy: -10.445
bonds (distance) P-C4' energy: -10.299
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -4.411
tors. eta vs tors. theta energy: -12.895
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: 5
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -125.121161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.121161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.121161 (E_RNA)
where:
Base-Base interactions energy: -75.140
where: short stacking energy: -48.064
Base-Backbone interact. energy: -0.033
local terms energy: -49.948620
where:
bonds (distance) C4'-P energy: -9.978
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -4.911
tors. eta vs tors. theta energy: -9.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -95.034971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.034971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.034971 (E_RNA)
where:
Base-Base interactions energy: -44.389
where: short stacking energy: -44.389
Base-Backbone interact. energy: -0.067
local terms energy: -50.578921
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -8.955
flat angles C4'-P-C4' energy: -9.395
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -12.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -125.611986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.611986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.611986 (E_RNA)
where:
Base-Base interactions energy: -69.678
where: short stacking energy: -37.671
Base-Backbone interact. energy: -0.001
local terms energy: -55.933807
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -11.232
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -11.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -78.741678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.741678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.741678 (E_RNA)
where:
Base-Base interactions energy: -32.903
where: short stacking energy: -32.903
Base-Backbone interact. energy: -0.020
local terms energy: -45.818622
where:
bonds (distance) C4'-P energy: -9.700
bonds (distance) P-C4' energy: -11.747
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -5.251
tors. eta vs tors. theta energy: -5.954
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: 1
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -72.632774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.632774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.632774 (E_RNA)
where:
Base-Base interactions energy: -28.137
where: short stacking energy: -23.426
Base-Backbone interact. energy: 0.508
local terms energy: -45.004583
where:
bonds (distance) C4'-P energy: -11.765
bonds (distance) P-C4' energy: -9.933
flat angles C4'-P-C4' energy: -10.260
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -3.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -81.566355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.566355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.566355 (E_RNA)
where:
Base-Base interactions energy: -35.775
where: short stacking energy: -35.775
Base-Backbone interact. energy: -0.093
local terms energy: -45.698205
where:
bonds (distance) C4'-P energy: -7.792
bonds (distance) P-C4' energy: -9.624
flat angles C4'-P-C4' energy: -9.238
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -11.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -65.685803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.685803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.685803 (E_RNA)
where:
Base-Base interactions energy: -34.130
where: short stacking energy: -20.109
Base-Backbone interact. energy: -0.066
local terms energy: -31.489687
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -8.226
flat angles C4'-P-C4' energy: -9.123
flat angles P-C4'-P energy: 0.397
tors. eta vs tors. theta energy: -2.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -65.859365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.859365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.859365 (E_RNA)
where:
Base-Base interactions energy: -23.403
where: short stacking energy: -23.403
Base-Backbone interact. energy: -0.000
local terms energy: -42.456266
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -8.727
flat angles P-C4'-P energy: -2.604
tors. eta vs tors. theta energy: -5.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -67.306469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.306469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.306469 (E_RNA)
where:
Base-Base interactions energy: -28.716
where: short stacking energy: -28.716
Base-Backbone interact. energy: -0.005
local terms energy: -38.585995
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -7.424
flat angles C4'-P-C4' energy: -6.109
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -5.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -148.335992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.335992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.335992 (E_RNA)
where:
Base-Base interactions energy: -83.258
where: short stacking energy: -51.287
Base-Backbone interact. energy: -0.000
local terms energy: -65.077396
where:
bonds (distance) C4'-P energy: -12.349
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -10.887
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: 5
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -129.610834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.610834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.610834 (E_RNA)
where:
Base-Base interactions energy: -73.872
where: short stacking energy: -42.960
Base-Backbone interact. energy: -0.163
local terms energy: -55.576223
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -11.575
flat angles C4'-P-C4' energy: -10.740
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: -12.491
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: 2
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -97.555689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.555689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.555689 (E_RNA)
where:
Base-Base interactions energy: -44.843
where: short stacking energy: -40.106
Base-Backbone interact. energy: -0.019
local terms energy: -52.693079
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -6.695
tors. eta vs tors. theta energy: -9.651
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: 153
Temperature: 1.050000
Total energy: -83.489998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.489998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.489998 (E_RNA)
where:
Base-Base interactions energy: -39.841
where: short stacking energy: -39.841
Base-Backbone interact. energy: -0.170
local terms energy: -43.479262
where:
bonds (distance) C4'-P energy: -9.837
bonds (distance) P-C4' energy: -7.611
flat angles C4'-P-C4' energy: -8.516
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -7.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -124.474687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.474687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.474687 (E_RNA)
where:
Base-Base interactions energy: -72.474
where: short stacking energy: -45.762
Base-Backbone interact. energy: -0.019
local terms energy: -51.981004
where:
bonds (distance) C4'-P energy: -10.428
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -9.014
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -10.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -78.709989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.709989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.709989 (E_RNA)
where:
Base-Base interactions energy: -37.804
where: short stacking energy: -25.107
Base-Backbone interact. energy: -0.038
local terms energy: -40.868504
where:
bonds (distance) C4'-P energy: -7.735
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -6.000
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -7.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -89.128039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.128039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.128039 (E_RNA)
where:
Base-Base interactions energy: -42.117
where: short stacking energy: -35.911
Base-Backbone interact. energy: -0.003
local terms energy: -47.007428
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -10.547
flat angles C4'-P-C4' energy: -10.219
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -6.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -68.254587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.254587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.254587 (E_RNA)
where:
Base-Base interactions energy: -21.499
where: short stacking energy: -21.499
Base-Backbone interact. energy: -0.040
local terms energy: -46.715492
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -11.362
flat angles C4'-P-C4' energy: -7.781
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -4.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -69.721476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.721476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.721476 (E_RNA)
where:
Base-Base interactions energy: -18.840
where: short stacking energy: -18.840
Base-Backbone interact. energy: -0.016
local terms energy: -50.865948
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -9.655
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -10.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -65.570207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.570207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.570207 (E_RNA)
where:
Base-Base interactions energy: -25.037
where: short stacking energy: -24.712
Base-Backbone interact. energy: -0.017
local terms energy: -40.516753
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -9.407
flat angles P-C4'-P energy: -5.500
tors. eta vs tors. theta energy: -4.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -131.912540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.912540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.912540 (E_RNA)
where:
Base-Base interactions energy: -79.091
where: short stacking energy: -45.875
Base-Backbone interact. energy: -0.016
local terms energy: -52.806063
where:
bonds (distance) C4'-P energy: -7.668
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -9.156
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: 8
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -141.697704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.697704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.697704 (E_RNA)
where:
Base-Base interactions energy: -82.846
where: short stacking energy: -47.323
Base-Backbone interact. energy: -0.092
local terms energy: -58.760620
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -10.524
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -12.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -94.481291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.481291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.481291 (E_RNA)
where:
Base-Base interactions energy: -47.605
where: short stacking energy: -38.867
Base-Backbone interact. energy: -0.074
local terms energy: -46.802599
where:
bonds (distance) C4'-P energy: -9.262
bonds (distance) P-C4' energy: -9.331
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -5.755
tors. eta vs tors. theta energy: -10.858
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: 4, replica: 9
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -85.537688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.537688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.537688 (E_RNA)
where:
Base-Base interactions energy: -32.302
where: short stacking energy: -32.302
Base-Backbone interact. energy: -0.004
local terms energy: -53.231654
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -11.470
flat angles C4'-P-C4' energy: -10.283
flat angles P-C4'-P energy: -9.638
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: 5, replica: 1
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -75.669914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.669914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.669914 (E_RNA)
where:
Base-Base interactions energy: -25.954
where: short stacking energy: -25.954
Base-Backbone interact. energy: -0.200
local terms energy: -49.515446
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -10.077
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -6.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -113.342049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.342049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.342049 (E_RNA)
where:
Base-Base interactions energy: -63.795
where: short stacking energy: -40.093
Base-Backbone interact. energy: 0.041
local terms energy: -49.588254
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -12.932
flat angles C4'-P-C4' energy: -7.393
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -9.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -83.742917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.742917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.742917 (E_RNA)
where:
Base-Base interactions energy: -31.532
where: short stacking energy: -27.470
Base-Backbone interact. energy: -0.002
local terms energy: -52.208050
where:
bonds (distance) C4'-P energy: -10.536
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -11.123
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -8.935
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: 8, replica: 10
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -71.993529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.993529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.993529 (E_RNA)
where:
Base-Base interactions energy: -24.926
where: short stacking energy: -24.926
Base-Backbone interact. energy: -0.096
local terms energy: -46.971344
where:
bonds (distance) C4'-P energy: -7.618
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -7.869
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -8.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -67.833163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.833163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.833163 (E_RNA)
where:
Base-Base interactions energy: -28.628
where: short stacking energy: -28.628
Base-Backbone interact. energy: -0.020
local terms energy: -39.185184
where:
bonds (distance) C4'-P energy: -9.352
bonds (distance) P-C4' energy: -8.553
flat angles C4'-P-C4' energy: -6.346
flat angles P-C4'-P energy: -5.946
tors. eta vs tors. theta energy: -8.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -68.910755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.910755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.910755 (E_RNA)
where:
Base-Base interactions energy: -33.903
where: short stacking energy: -32.181
Base-Backbone interact. energy: -0.078
local terms energy: -34.929643
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -8.570
flat angles C4'-P-C4' energy: -5.588
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -1.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -150.358895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.358895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.358895 (E_RNA)
where:
Base-Base interactions energy: -92.559
where: short stacking energy: -59.295
Base-Backbone interact. energy: -0.002
local terms energy: -57.797862
where:
bonds (distance) C4'-P energy: -9.896
bonds (distance) P-C4' energy: -10.158
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -8.221
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: 2, replica: 8
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -140.045462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.045462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.045462 (E_RNA)
where:
Base-Base interactions energy: -80.068
where: short stacking energy: -51.115
Base-Backbone interact. energy: -0.089
local terms energy: -59.888502
where:
bonds (distance) C4'-P energy: -9.170
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -14.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -96.909129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.909129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.909129 (E_RNA)
where:
Base-Base interactions energy: -40.996
where: short stacking energy: -40.996
Base-Backbone interact. energy: -0.096
local terms energy: -55.817265
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -9.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -90.893711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.893711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.893711 (E_RNA)
where:
Base-Base interactions energy: -46.346
where: short stacking energy: -46.346
Base-Backbone interact. energy: -0.036
local terms energy: -44.511527
where:
bonds (distance) C4'-P energy: -6.135
bonds (distance) P-C4' energy: -14.929
flat angles C4'-P-C4' energy: -9.337
flat angles P-C4'-P energy: -3.895
tors. eta vs tors. theta energy: -10.216
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: 1
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -91.582536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.582536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.582536 (E_RNA)
where:
Base-Base interactions energy: -36.677
where: short stacking energy: -36.677
Base-Backbone interact. energy: -0.000
local terms energy: -54.905243
where:
bonds (distance) C4'-P energy: -10.051
bonds (distance) P-C4' energy: -11.204
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -10.311
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: 155
Temperature: 1.150000
Total energy: -76.031972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.031972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.031972 (E_RNA)
where:
Base-Base interactions energy: -32.182
where: short stacking energy: -22.153
Base-Backbone interact. energy: -0.016
local terms energy: -43.834070
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -11.057
flat angles P-C4'-P energy: -6.312
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: 7, replica: 4
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -119.463594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.463594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.463594 (E_RNA)
where:
Base-Base interactions energy: -65.538
where: short stacking energy: -36.916
Base-Backbone interact. energy: -0.150
local terms energy: -53.774966
where:
bonds (distance) C4'-P energy: -12.449
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -10.778
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -9.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -75.913836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.913836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.913836 (E_RNA)
where:
Base-Base interactions energy: -34.694
where: short stacking energy: -34.694
Base-Backbone interact. energy: -0.094
local terms energy: -41.125683
where:
bonds (distance) C4'-P energy: -7.995
bonds (distance) P-C4' energy: -8.536
flat angles C4'-P-C4' energy: -12.194
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -4.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -67.875481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.875481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.875481 (E_RNA)
where:
Base-Base interactions energy: -26.554
where: short stacking energy: -26.554
Base-Backbone interact. energy: -0.060
local terms energy: -41.261462
where:
bonds (distance) C4'-P energy: -7.813
bonds (distance) P-C4' energy: -10.469
flat angles C4'-P-C4' energy: -11.180
flat angles P-C4'-P energy: -4.543
tors. eta vs tors. theta energy: -7.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -65.588819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.588819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.588819 (E_RNA)
where:
Base-Base interactions energy: -22.747
where: short stacking energy: -22.847
Base-Backbone interact. energy: -0.192
local terms energy: -42.649571
where:
bonds (distance) C4'-P energy: -10.287
bonds (distance) P-C4' energy: -12.252
flat angles C4'-P-C4' energy: -11.379
flat angles P-C4'-P energy: -6.013
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: 5
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -140.262303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.262303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.262303 (E_RNA)
where:
Base-Base interactions energy: -83.216
where: short stacking energy: -50.345
Base-Backbone interact. energy: -0.015
local terms energy: -57.031195
where:
bonds (distance) C4'-P energy: -12.010
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -11.512
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: 8
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -133.579422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.579422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.579422 (E_RNA)
where:
Base-Base interactions energy: -76.942
where: short stacking energy: -46.307
Base-Backbone interact. energy: -0.049
local terms energy: -56.588175
where:
bonds (distance) C4'-P energy: -9.995
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: -15.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -88.753322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.753322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.753322 (E_RNA)
where:
Base-Base interactions energy: -35.166
where: short stacking energy: -33.800
Base-Backbone interact. energy: -0.007
local terms energy: -53.580895
where:
bonds (distance) C4'-P energy: -9.778
bonds (distance) P-C4' energy: -9.578
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -6.407
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: 4, replica: 2
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -90.139630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.139630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.139630 (E_RNA)
where:
Base-Base interactions energy: -37.604
where: short stacking energy: -29.468
Base-Backbone interact. energy: -0.113
local terms energy: -52.422459
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -9.755
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -9.015
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: 1
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -87.967901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.967901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.967901 (E_RNA)
where:
Base-Base interactions energy: -42.275
where: short stacking energy: -36.151
Base-Backbone interact. energy: -0.082
local terms energy: -45.610851
where:
bonds (distance) C4'-P energy: -7.865
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -5.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -70.824966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.824966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.824966 (E_RNA)
where:
Base-Base interactions energy: -30.055
where: short stacking energy: -29.550
Base-Backbone interact. energy: -0.034
local terms energy: -40.735640
where:
bonds (distance) C4'-P energy: -9.365
bonds (distance) P-C4' energy: -10.967
flat angles C4'-P-C4' energy: -7.420
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -5.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -81.842923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.842923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.842923 (E_RNA)
where:
Base-Base interactions energy: -35.750
where: short stacking energy: -31.587
Base-Backbone interact. energy: -0.154
local terms energy: -45.938571
where:
bonds (distance) C4'-P energy: -10.648
bonds (distance) P-C4' energy: -11.865
flat angles C4'-P-C4' energy: -10.109
flat angles P-C4'-P energy: -6.343
tors. eta vs tors. theta energy: -6.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -96.150319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.150319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.150319 (E_RNA)
where:
Base-Base interactions energy: -40.210
where: short stacking energy: -40.210
Base-Backbone interact. energy: -0.007
local terms energy: -55.933764
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -10.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -71.748234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.748234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.748234 (E_RNA)
where:
Base-Base interactions energy: -26.983
where: short stacking energy: -26.922
Base-Backbone interact. energy: -0.041
local terms energy: -44.724052
where:
bonds (distance) C4'-P energy: -6.025
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -5.381
tors. eta vs tors. theta energy: -7.763
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: 10
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -63.402107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.402107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.402107 (E_RNA)
where:
Base-Base interactions energy: -18.596
where: short stacking energy: -18.596
Base-Backbone interact. energy: -0.211
local terms energy: -44.594670
where:
bonds (distance) C4'-P energy: -9.239
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -8.591
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -4.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -141.554421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.554421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.554421 (E_RNA)
where:
Base-Base interactions energy: -85.993
where: short stacking energy: -50.794
Base-Backbone interact. energy: -0.035
local terms energy: -55.525656
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -10.987
flat angles P-C4'-P energy: -6.698
tors. eta vs tors. theta energy: -13.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -134.805501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.805501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.805501 (E_RNA)
where:
Base-Base interactions energy: -79.376
where: short stacking energy: -44.518
Base-Backbone interact. energy: -0.249
local terms energy: -55.180009
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -11.119
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -14.145
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: 3, replica: 9
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -85.243602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.243602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.243602 (E_RNA)
where:
Base-Base interactions energy: -45.681
where: short stacking energy: -33.613
Base-Backbone interact. energy: -0.065
local terms energy: -39.497203
where:
bonds (distance) C4'-P energy: -10.537
bonds (distance) P-C4' energy: -7.794
flat angles C4'-P-C4' energy: -7.349
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -6.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -91.436281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.436281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.436281 (E_RNA)
where:
Base-Base interactions energy: -43.601
where: short stacking energy: -35.036
Base-Backbone interact. energy: -0.002
local terms energy: -47.832423
where:
bonds (distance) C4'-P energy: -8.185
bonds (distance) P-C4' energy: -10.759
flat angles C4'-P-C4' energy: -10.897
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -9.102
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: 2
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -82.171186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.171186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.171186 (E_RNA)
where:
Base-Base interactions energy: -37.560
where: short stacking energy: -35.466
Base-Backbone interact. energy: -0.163
local terms energy: -44.448490
where:
bonds (distance) C4'-P energy: -9.923
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -8.772
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -6.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -83.007140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.007140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.007140 (E_RNA)
where:
Base-Base interactions energy: -32.783
where: short stacking energy: -32.783
Base-Backbone interact. energy: -0.245
local terms energy: -49.979526
where:
bonds (distance) C4'-P energy: -9.392
bonds (distance) P-C4' energy: -10.802
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -8.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -78.063295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.063295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.063295 (E_RNA)
where:
Base-Base interactions energy: -32.031
where: short stacking energy: -32.031
Base-Backbone interact. energy: -0.029
local terms energy: -46.003947
where:
bonds (distance) C4'-P energy: -11.471
bonds (distance) P-C4' energy: -12.166
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -4.183
tors. eta vs tors. theta energy: -6.632
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: 157
Temperature: 1.250000
Total energy: -72.238091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.238091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.238091 (E_RNA)
where:
Base-Base interactions energy: -29.958
where: short stacking energy: -29.958
Base-Backbone interact. energy: 0.140
local terms energy: -42.419575
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -13.202
flat angles C4'-P-C4' energy: -9.072
flat angles P-C4'-P energy: -6.791
tors. eta vs tors. theta energy: -3.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -75.829194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.829194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.829194 (E_RNA)
where:
Base-Base interactions energy: -33.194
where: short stacking energy: -21.967
Base-Backbone interact. energy: -0.137
local terms energy: -42.498393
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -7.666
flat angles P-C4'-P energy: -4.703
tors. eta vs tors. theta energy: -6.042
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: 157
Temperature: 1.350000
Total energy: -65.097131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.097131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.097131 (E_RNA)
where:
Base-Base interactions energy: -25.051
where: short stacking energy: -25.051
Base-Backbone interact. energy: -0.003
local terms energy: -40.043282
where:
bonds (distance) C4'-P energy: -9.825
bonds (distance) P-C4' energy: -8.731
flat angles C4'-P-C4' energy: -7.041
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -7.576
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: 8
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -142.558480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.558480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.558480 (E_RNA)
where:
Base-Base interactions energy: -84.839
where: short stacking energy: -48.105
Base-Backbone interact. energy: -0.098
local terms energy: -57.621623
where:
bonds (distance) C4'-P energy: -10.193
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -14.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -135.805856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.805856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.805856 (E_RNA)
where:
Base-Base interactions energy: -81.937
where: short stacking energy: -50.966
Base-Backbone interact. energy: -0.085
local terms energy: -53.784003
where:
bonds (distance) C4'-P energy: -10.843
bonds (distance) P-C4' energy: -8.542
flat angles C4'-P-C4' energy: -10.455
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -13.854
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: 3, replica: 9
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -88.909633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.909633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.909633 (E_RNA)
where:
Base-Base interactions energy: -37.452
where: short stacking energy: -37.452
Base-Backbone interact. energy: -0.069
local terms energy: -51.388818
where:
bonds (distance) C4'-P energy: -10.466
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -11.343
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -10.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -92.581231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.581231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.581231 (E_RNA)
where:
Base-Base interactions energy: -48.339
where: short stacking energy: -39.843
Base-Backbone interact. energy: -0.001
local terms energy: -44.240798
where:
bonds (distance) C4'-P energy: -10.892
bonds (distance) P-C4' energy: -11.254
flat angles C4'-P-C4' energy: -9.730
flat angles P-C4'-P energy: -1.984
tors. eta vs tors. theta energy: -10.381
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: 6
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -90.618408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.618408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.618408 (E_RNA)
where:
Base-Base interactions energy: -39.669
where: short stacking energy: -39.669
Base-Backbone interact. energy: -0.011
local terms energy: -50.938176
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -8.665
flat angles P-C4'-P energy: -6.514
tors. eta vs tors. theta energy: -13.459
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: 6, replica: 2
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -90.200503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.200503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.200503 (E_RNA)
where:
Base-Base interactions energy: -40.727
where: short stacking energy: -40.727
Base-Backbone interact. energy: -0.000
local terms energy: -49.473927
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -8.560
flat angles C4'-P-C4' energy: -9.684
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -10.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -76.469553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.469553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.469553 (E_RNA)
where:
Base-Base interactions energy: -35.036
where: short stacking energy: -35.036
Base-Backbone interact. energy: -0.007
local terms energy: -41.426489
where:
bonds (distance) C4'-P energy: -11.266
bonds (distance) P-C4' energy: -10.032
flat angles C4'-P-C4' energy: -8.913
flat angles P-C4'-P energy: -5.788
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: 4
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -66.050103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.050103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.050103 (E_RNA)
where:
Base-Base interactions energy: -28.957
where: short stacking energy: -28.957
Base-Backbone interact. energy: -0.033
local terms energy: -37.060030
where:
bonds (distance) C4'-P energy: -6.769
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -9.571
flat angles P-C4'-P energy: -4.858
tors. eta vs tors. theta energy: -4.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -61.681099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.681099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.681099 (E_RNA)
where:
Base-Base interactions energy: -20.903
where: short stacking energy: -20.903
Base-Backbone interact. energy: -0.052
local terms energy: -40.725877
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -8.623
flat angles C4'-P-C4' energy: -9.060
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -2.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -56.907425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.907425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.907425 (E_RNA)
where:
Base-Base interactions energy: -29.475
where: short stacking energy: -14.328
Base-Backbone interact. energy: -1.152
local terms energy: -26.280006
where:
bonds (distance) C4'-P energy: -2.956
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -8.800
flat angles P-C4'-P energy: -6.382
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: 1, replica: 8
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -141.691815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.691815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.691815 (E_RNA)
where:
Base-Base interactions energy: -87.898
where: short stacking energy: -51.218
Base-Backbone interact. energy: -0.037
local terms energy: -53.756642
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -7.545
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -13.618
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: 159
Temperature: 0.950000
Total energy: -126.214570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.214570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.214570 (E_RNA)
where:
Base-Base interactions energy: -76.135
where: short stacking energy: -49.674
Base-Backbone interact. energy: 0.634
local terms energy: -50.712951
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -10.045
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -9.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -85.657155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.657155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.657155 (E_RNA)
where:
Base-Base interactions energy: -41.493
where: short stacking energy: -30.668
Base-Backbone interact. energy: -0.285
local terms energy: -43.878562
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -9.580
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -2.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -99.332273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.332273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.332273 (E_RNA)
where:
Base-Base interactions energy: -47.532
where: short stacking energy: -47.532
Base-Backbone interact. energy: -0.004
local terms energy: -51.796004
where:
bonds (distance) C4'-P energy: -9.325
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -5.498
tors. eta vs tors. theta energy: -12.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -90.193451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.193451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.193451 (E_RNA)
where:
Base-Base interactions energy: -36.703
where: short stacking energy: -36.703
Base-Backbone interact. energy: -0.004
local terms energy: -53.486876
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -8.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -71.466852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.466852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.466852 (E_RNA)
where:
Base-Base interactions energy: -33.013
where: short stacking energy: -28.791
Base-Backbone interact. energy: -0.006
local terms energy: -38.447004
where:
bonds (distance) C4'-P energy: -9.063
bonds (distance) P-C4' energy: -8.556
flat angles C4'-P-C4' energy: -10.036
flat angles P-C4'-P energy: -5.990
tors. eta vs tors. theta energy: -4.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -71.871519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.871519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.871519 (E_RNA)
where:
Base-Base interactions energy: -25.637
where: short stacking energy: -25.637
Base-Backbone interact. energy: -0.351
local terms energy: -45.883689
where:
bonds (distance) C4'-P energy: -10.777
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -9.580
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -3.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -69.847960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.847960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.847960 (E_RNA)
where:
Base-Base interactions energy: -28.167
where: short stacking energy: -28.167
Base-Backbone interact. energy: -0.013
local terms energy: -41.668120
where:
bonds (distance) C4'-P energy: -9.799
bonds (distance) P-C4' energy: -10.474
flat angles C4'-P-C4' energy: -10.414
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -2.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -61.565520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.565520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.565520 (E_RNA)
where:
Base-Base interactions energy: -21.107
where: short stacking energy: -21.107
Base-Backbone interact. energy: -0.053
local terms energy: -40.406320
where:
bonds (distance) C4'-P energy: -9.410
bonds (distance) P-C4' energy: -11.462
flat angles C4'-P-C4' energy: -9.240
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -2.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -61.997861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.997861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.997861 (E_RNA)
where:
Base-Base interactions energy: -24.633
where: short stacking energy: -24.633
Base-Backbone interact. energy: -0.100
local terms energy: -37.264595
where:
bonds (distance) C4'-P energy: -8.343
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -10.198
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: 0.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -151.809890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.809890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.809890 (E_RNA)
where:
Base-Base interactions energy: -91.618
where: short stacking energy: -49.541
Base-Backbone interact. energy: -0.006
local terms energy: -60.185075
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -11.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -130.632819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.632819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.632819 (E_RNA)
where:
Base-Base interactions energy: -76.346
where: short stacking energy: -41.617
Base-Backbone interact. energy: 0.051
local terms energy: -54.337744
where:
bonds (distance) C4'-P energy: -9.812
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -10.723
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -11.176
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: 6
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -90.404765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.404765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.404765 (E_RNA)
where:
Base-Base interactions energy: -39.509
where: short stacking energy: -38.728
Base-Backbone interact. energy: -0.128
local terms energy: -50.767799
where:
bonds (distance) C4'-P energy: -8.690
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -7.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -80.554577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.554577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.554577 (E_RNA)
where:
Base-Base interactions energy: -33.186
where: short stacking energy: -33.186
Base-Backbone interact. energy: -0.212
local terms energy: -47.156443
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -9.255
flat angles C4'-P-C4' energy: -10.156
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -6.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -73.561374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.561374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.561374 (E_RNA)
where:
Base-Base interactions energy: -28.613
where: short stacking energy: -27.224
Base-Backbone interact. energy: 0.369
local terms energy: -45.317696
where:
bonds (distance) C4'-P energy: -9.526
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -10.080
flat angles P-C4'-P energy: -6.608
tors. eta vs tors. theta energy: -5.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -76.341896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.341896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.341896 (E_RNA)
where:
Base-Base interactions energy: -28.584
where: short stacking energy: -24.487
Base-Backbone interact. energy: 1.880
local terms energy: -49.637948
where:
bonds (distance) C4'-P energy: -11.066
bonds (distance) P-C4' energy: -11.948
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -3.744
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: 7, replica: 3
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -71.851971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.851971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.851971 (E_RNA)
where:
Base-Base interactions energy: -23.244
where: short stacking energy: -21.589
Base-Backbone interact. energy: -0.028
local terms energy: -48.579809
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -3.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -70.084245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.084245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.084245 (E_RNA)
where:
Base-Base interactions energy: -23.309
where: short stacking energy: -18.877
Base-Backbone interact. energy: -0.176
local terms energy: -46.598806
where:
bonds (distance) C4'-P energy: -10.764
bonds (distance) P-C4' energy: -11.372
flat angles C4'-P-C4' energy: -10.352
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -5.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -61.649877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.649877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.649877 (E_RNA)
where:
Base-Base interactions energy: -19.327
where: short stacking energy: -20.327
Base-Backbone interact. energy: -0.047
local terms energy: -42.275742
where:
bonds (distance) C4'-P energy: -7.728
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -9.766
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -4.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -60.194054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.194054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.194054 (E_RNA)
where:
Base-Base interactions energy: -19.135
where: short stacking energy: -19.135
Base-Backbone interact. energy: 0.416
local terms energy: -41.474708
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -9.645
flat angles P-C4'-P energy: -4.376
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: 8
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -139.072453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.072453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.072453 (E_RNA)
where:
Base-Base interactions energy: -82.355
where: short stacking energy: -49.002
Base-Backbone interact. energy: 0.097
local terms energy: -56.814936
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: -12.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -142.844782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.844782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.844782 (E_RNA)
where:
Base-Base interactions energy: -89.302
where: short stacking energy: -54.363
Base-Backbone interact. energy: -0.004
local terms energy: -53.539385
where:
bonds (distance) C4'-P energy: -9.067
bonds (distance) P-C4' energy: -10.473
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -7.450
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: 3, replica: 6
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -115.081414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.081414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.081414 (E_RNA)
where:
Base-Base interactions energy: -66.166
where: short stacking energy: -35.550
Base-Backbone interact. energy: -0.249
local terms energy: -48.666406
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -9.987
flat angles P-C4'-P energy: -4.936
tors. eta vs tors. theta energy: -8.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -95.282523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.282523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.282523 (E_RNA)
where:
Base-Base interactions energy: -40.588
where: short stacking energy: -40.588
Base-Backbone interact. energy: -0.025
local terms energy: -54.669202
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -11.346
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -10.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -87.907717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.907717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.907717 (E_RNA)
where:
Base-Base interactions energy: -41.856
where: short stacking energy: -28.628
Base-Backbone interact. energy: -0.319
local terms energy: -45.733186
where:
bonds (distance) C4'-P energy: -10.429
bonds (distance) P-C4' energy: -9.899
flat angles C4'-P-C4' energy: -12.168
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -5.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -90.683910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.683910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.683910 (E_RNA)
where:
Base-Base interactions energy: -37.896
where: short stacking energy: -37.896
Base-Backbone interact. energy: -0.000
local terms energy: -52.788004
where:
bonds (distance) C4'-P energy: -10.093
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -8.058
flat angles P-C4'-P energy: -9.121
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: 7, replica: 1
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -68.248828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.248828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.248828 (E_RNA)
where:
Base-Base interactions energy: -28.156
where: short stacking energy: -28.156
Base-Backbone interact. energy: -0.151
local terms energy: -39.941741
where:
bonds (distance) C4'-P energy: -10.606
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -8.740
flat angles P-C4'-P energy: -5.964
tors. eta vs tors. theta energy: -2.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -74.951125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.951125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.951125 (E_RNA)
where:
Base-Base interactions energy: -28.180
where: short stacking energy: -28.180
Base-Backbone interact. energy: -0.002
local terms energy: -46.769088
where:
bonds (distance) C4'-P energy: -10.229
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -11.379
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -5.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -64.839529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.839529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.839529 (E_RNA)
where:
Base-Base interactions energy: -21.442
where: short stacking energy: -21.442
Base-Backbone interact. energy: -0.012
local terms energy: -43.385280
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -10.010
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -5.971
tors. eta vs tors. theta energy: -3.022
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: 161
Temperature: 1.350000
Total energy: -64.224560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.224560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.224560 (E_RNA)
where:
Base-Base interactions energy: -26.574
where: short stacking energy: -27.674
Base-Backbone interact. energy: 0.126
local terms energy: -37.776893
where:
bonds (distance) C4'-P energy: -10.043
bonds (distance) P-C4' energy: -10.795
flat angles C4'-P-C4' energy: -10.140
flat angles P-C4'-P energy: -4.664
tors. eta vs tors. theta energy: -2.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -143.235641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.235641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.235641 (E_RNA)
where:
Base-Base interactions energy: -86.257
where: short stacking energy: -57.062
Base-Backbone interact. energy: -0.097
local terms energy: -56.881920
where:
bonds (distance) C4'-P energy: -8.876
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -5.513
tors. eta vs tors. theta energy: -15.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -128.198555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.198555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.198555 (E_RNA)
where:
Base-Base interactions energy: -71.523
where: short stacking energy: -43.373
Base-Backbone interact. energy: -0.165
local terms energy: -56.509676
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -7.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -126.458445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.458445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.458445 (E_RNA)
where:
Base-Base interactions energy: -75.262
where: short stacking energy: -43.205
Base-Backbone interact. energy: -0.045
local terms energy: -51.150753
where:
bonds (distance) C4'-P energy: -8.603
bonds (distance) P-C4' energy: -13.865
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -9.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -83.647631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.647631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.647631 (E_RNA)
where:
Base-Base interactions energy: -29.190
where: short stacking energy: -29.190
Base-Backbone interact. energy: -0.183
local terms energy: -54.274826
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -6.738
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: 3
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -84.548213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.548213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.548213 (E_RNA)
where:
Base-Base interactions energy: -39.012
where: short stacking energy: -39.012
Base-Backbone interact. energy: 1.769
local terms energy: -47.304987
where:
bonds (distance) C4'-P energy: -9.837
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -10.442
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -6.603
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: 6, replica: 9
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -82.920195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.920195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.920195 (E_RNA)
where:
Base-Base interactions energy: -36.366
where: short stacking energy: -28.128
Base-Backbone interact. energy: -0.144
local terms energy: -46.409816
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -10.443
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -6.831
tors. eta vs tors. theta energy: -5.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -77.152377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.152377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.152377 (E_RNA)
where:
Base-Base interactions energy: -35.472
where: short stacking energy: -35.445
Base-Backbone interact. energy: -0.052
local terms energy: -41.627673
where:
bonds (distance) C4'-P energy: -9.022
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -8.500
flat angles P-C4'-P energy: -4.337
tors. eta vs tors. theta energy: -7.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -68.648389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.648389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.648389 (E_RNA)
where:
Base-Base interactions energy: -25.049
where: short stacking energy: -24.820
Base-Backbone interact. energy: -0.296
local terms energy: -43.303604
where:
bonds (distance) C4'-P energy: -10.280
bonds (distance) P-C4' energy: -10.108
flat angles C4'-P-C4' energy: -10.833
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -3.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -51.125596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.125596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.125596 (E_RNA)
where:
Base-Base interactions energy: -24.667
where: short stacking energy: -14.859
Base-Backbone interact. energy: -0.150
local terms energy: -26.308990
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -4.581
flat angles C4'-P-C4' energy: -7.119
flat angles P-C4'-P energy: -6.731
tors. eta vs tors. theta energy: 3.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -73.119229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.119229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.119229 (E_RNA)
where:
Base-Base interactions energy: -29.149
where: short stacking energy: -29.149
Base-Backbone interact. energy: -0.013
local terms energy: -43.957029
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -6.614
flat angles C4'-P-C4' energy: -8.748
flat angles P-C4'-P energy: -5.561
tors. eta vs tors. theta energy: -10.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -138.548787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.548787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.548787 (E_RNA)
where:
Base-Base interactions energy: -81.354
where: short stacking energy: -48.977
Base-Backbone interact. energy: -0.006
local terms energy: -57.189006
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -4.492
tors. eta vs tors. theta energy: -13.956
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: 8
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -136.217384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.217384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.217384 (E_RNA)
where:
Base-Base interactions energy: -78.920
where: short stacking energy: -51.036
Base-Backbone interact. energy: -0.018
local terms energy: -57.279211
where:
bonds (distance) C4'-P energy: -10.032
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -6.200
tors. eta vs tors. theta energy: -14.897
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: 6
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -117.762847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.762847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.762847 (E_RNA)
where:
Base-Base interactions energy: -69.482
where: short stacking energy: -43.661
Base-Backbone interact. energy: -0.162
local terms energy: -48.118991
where:
bonds (distance) C4'-P energy: -6.820
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -9.825
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -10.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -101.860347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.860347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.860347 (E_RNA)
where:
Base-Base interactions energy: -50.562
where: short stacking energy: -29.989
Base-Backbone interact. energy: -0.256
local terms energy: -51.042515
where:
bonds (distance) C4'-P energy: -10.801
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -6.231
tors. eta vs tors. theta energy: -7.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -92.258746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.258746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.258746 (E_RNA)
where:
Base-Base interactions energy: -39.829
where: short stacking energy: -39.829
Base-Backbone interact. energy: -0.080
local terms energy: -52.349606
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: -9.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -78.900658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.900658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.900658 (E_RNA)
where:
Base-Base interactions energy: -30.631
where: short stacking energy: -30.631
Base-Backbone interact. energy: -0.001
local terms energy: -48.268441
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -7.540
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -7.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -86.181302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.181302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.181302 (E_RNA)
where:
Base-Base interactions energy: -34.960
where: short stacking energy: -34.960
Base-Backbone interact. energy: -0.000
local terms energy: -51.220826
where:
bonds (distance) C4'-P energy: -7.862
bonds (distance) P-C4' energy: -9.249
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -9.742
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: 8, replica: 10
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -70.051561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.051561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.051561 (E_RNA)
where:
Base-Base interactions energy: -23.472
where: short stacking energy: -23.472
Base-Backbone interact. energy: -0.000
local terms energy: -46.579307
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -8.876
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -5.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -63.899929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.899929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.899929 (E_RNA)
where:
Base-Base interactions energy: -28.229
where: short stacking energy: -21.938
Base-Backbone interact. energy: -0.006
local terms energy: -35.665702
where:
bonds (distance) C4'-P energy: -7.837
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -7.114
flat angles P-C4'-P energy: -5.562
tors. eta vs tors. theta energy: -0.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -66.439685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.439685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.439685 (E_RNA)
where:
Base-Base interactions energy: -21.260
where: short stacking energy: -21.260
Base-Backbone interact. energy: -0.038
local terms energy: -45.140886
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -9.183
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -2.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -150.597606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.597606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.597606 (E_RNA)
where:
Base-Base interactions energy: -92.765
where: short stacking energy: -55.997
Base-Backbone interact. energy: -0.002
local terms energy: -57.830683
where:
bonds (distance) C4'-P energy: -5.370
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -15.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -126.431380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.431380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.431380 (E_RNA)
where:
Base-Base interactions energy: -74.581
where: short stacking energy: -50.231
Base-Backbone interact. energy: -0.001
local terms energy: -51.848972
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -8.973
flat angles C4'-P-C4' energy: -10.791
flat angles P-C4'-P energy: -8.017
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: 3, replica: 6
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -130.978156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.978156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.978156 (E_RNA)
where:
Base-Base interactions energy: -80.450
where: short stacking energy: -48.666
Base-Backbone interact. energy: -0.106
local terms energy: -50.422206
where:
bonds (distance) C4'-P energy: -11.162
bonds (distance) P-C4' energy: -10.080
flat angles C4'-P-C4' energy: -8.898
flat angles P-C4'-P energy: -5.280
tors. eta vs tors. theta energy: -15.002
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: 4, replica: 3
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -110.998134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.998134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.998134 (E_RNA)
where:
Base-Base interactions energy: -58.805
where: short stacking energy: -38.314
Base-Backbone interact. energy: -0.108
local terms energy: -52.085255
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -10.221
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -9.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -70.836636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.836636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.836636 (E_RNA)
where:
Base-Base interactions energy: -29.424
where: short stacking energy: -29.424
Base-Backbone interact. energy: -0.134
local terms energy: -41.278908
where:
bonds (distance) C4'-P energy: -10.884
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -6.430
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -1.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -72.182781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.182781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.182781 (E_RNA)
where:
Base-Base interactions energy: -27.612
where: short stacking energy: -27.612
Base-Backbone interact. energy: -0.000
local terms energy: -44.570968
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -8.619
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: -6.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -70.228068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.228068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.228068 (E_RNA)
where:
Base-Base interactions energy: -28.273
where: short stacking energy: -28.273
Base-Backbone interact. energy: 0.018
local terms energy: -41.972770
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -5.792
flat angles P-C4'-P energy: -6.175
tors. eta vs tors. theta energy: -7.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -79.908475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.908475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.908475 (E_RNA)
where:
Base-Base interactions energy: -30.107
where: short stacking energy: -30.107
Base-Backbone interact. energy: -0.084
local terms energy: -49.717641
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -11.346
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -5.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -66.375628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.375628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.375628 (E_RNA)
where:
Base-Base interactions energy: -25.690
where: short stacking energy: -25.690
Base-Backbone interact. energy: -0.101
local terms energy: -40.584751
where:
bonds (distance) C4'-P energy: -8.938
bonds (distance) P-C4' energy: -10.760
flat angles C4'-P-C4' energy: -8.917
flat angles P-C4'-P energy: -6.427
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: 10, replica: 4
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -65.146555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.146555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.146555 (E_RNA)
where:
Base-Base interactions energy: -24.410
where: short stacking energy: -21.369
Base-Backbone interact. energy: -0.102
local terms energy: -40.635397
where:
bonds (distance) C4'-P energy: -6.624
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -9.523
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -4.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -149.969278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.969278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.969278 (E_RNA)
where:
Base-Base interactions energy: -95.648
where: short stacking energy: -59.587
Base-Backbone interact. energy: -0.008
local terms energy: -54.313915
where:
bonds (distance) C4'-P energy: -8.272
bonds (distance) P-C4' energy: -9.712
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -13.590
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: 2, replica: 6
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -132.794584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.794584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.794584 (E_RNA)
where:
Base-Base interactions energy: -76.216
where: short stacking energy: -39.865
Base-Backbone interact. energy: -0.531
local terms energy: -56.047502
where:
bonds (distance) C4'-P energy: -7.331
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -11.606
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -12.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -121.126283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.126283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.126283 (E_RNA)
where:
Base-Base interactions energy: -71.100
where: short stacking energy: -32.458
Base-Backbone interact. energy: -0.182
local terms energy: -49.844264
where:
bonds (distance) C4'-P energy: -11.268
bonds (distance) P-C4' energy: -9.571
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -8.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -95.660355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.660355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.660355 (E_RNA)
where:
Base-Base interactions energy: -46.997
where: short stacking energy: -46.997
Base-Backbone interact. energy: -0.016
local terms energy: -48.647299
where:
bonds (distance) C4'-P energy: -11.787
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -10.749
flat angles P-C4'-P energy: -0.621
tors. eta vs tors. theta energy: -13.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -90.263600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.263600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.263600 (E_RNA)
where:
Base-Base interactions energy: -34.949
where: short stacking energy: -34.949
Base-Backbone interact. energy: -0.022
local terms energy: -55.291745
where:
bonds (distance) C4'-P energy: -10.797
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -11.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -76.949353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.949353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.949353 (E_RNA)
where:
Base-Base interactions energy: -30.667
where: short stacking energy: -30.667
Base-Backbone interact. energy: -0.010
local terms energy: -46.272067
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -10.162
flat angles P-C4'-P energy: -6.311
tors. eta vs tors. theta energy: -6.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -68.680130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.680130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.680130 (E_RNA)
where:
Base-Base interactions energy: -30.001
where: short stacking energy: -24.209
Base-Backbone interact. energy: -0.156
local terms energy: -38.523565
where:
bonds (distance) C4'-P energy: -11.120
bonds (distance) P-C4' energy: -7.201
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -0.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -76.364095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.364095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.364095 (E_RNA)
where:
Base-Base interactions energy: -29.825
where: short stacking energy: -26.472
Base-Backbone interact. energy: -0.123
local terms energy: -46.416607
where:
bonds (distance) C4'-P energy: -12.515
bonds (distance) P-C4' energy: -11.071
flat angles C4'-P-C4' energy: -8.770
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -7.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -65.857561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.857561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.857561 (E_RNA)
where:
Base-Base interactions energy: -26.799
where: short stacking energy: -26.119
Base-Backbone interact. energy: -0.090
local terms energy: -38.968042
where:
bonds (distance) C4'-P energy: -6.805
bonds (distance) P-C4' energy: -11.610
flat angles C4'-P-C4' energy: -4.718
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -7.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -55.484458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.484458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.484458 (E_RNA)
where:
Base-Base interactions energy: -23.043
where: short stacking energy: -10.959
Base-Backbone interact. energy: -0.055
local terms energy: -32.386213
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -8.624
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -5.197
tors. eta vs tors. theta energy: 4.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -141.665701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.665701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.665701 (E_RNA)
where:
Base-Base interactions energy: -84.393
where: short stacking energy: -50.456
Base-Backbone interact. energy: -0.060
local terms energy: -57.212388
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -8.688
tors. eta vs tors. theta energy: -11.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -131.785281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.785281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.785281 (E_RNA)
where:
Base-Base interactions energy: -76.633
where: short stacking energy: -47.820
Base-Backbone interact. energy: -0.104
local terms energy: -55.047866
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -10.498
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -6.132
tors. eta vs tors. theta energy: -14.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -126.473570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.473570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.473570 (E_RNA)
where:
Base-Base interactions energy: -68.413
where: short stacking energy: -41.110
Base-Backbone interact. energy: -0.125
local terms energy: -57.934989
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -11.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -83.013577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.013577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.013577 (E_RNA)
where:
Base-Base interactions energy: -34.327
where: short stacking energy: -34.327
Base-Backbone interact. energy: -0.041
local terms energy: -48.645609
where:
bonds (distance) C4'-P energy: -10.254
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -9.743
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: -8.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -101.337466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.337466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.337466 (E_RNA)
where:
Base-Base interactions energy: -46.604
where: short stacking energy: -46.604
Base-Backbone interact. energy: -0.000
local terms energy: -54.733720
where:
bonds (distance) C4'-P energy: -11.534
bonds (distance) P-C4' energy: -9.527
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -5.884
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: 7
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -69.975172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.975172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.975172 (E_RNA)
where:
Base-Base interactions energy: -27.864
where: short stacking energy: -25.771
Base-Backbone interact. energy: -0.301
local terms energy: -41.809490
where:
bonds (distance) C4'-P energy: -10.577
bonds (distance) P-C4' energy: -8.998
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -6.664
tors. eta vs tors. theta energy: -2.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -74.084459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.084459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.084459 (E_RNA)
where:
Base-Base interactions energy: -36.916
where: short stacking energy: -33.973
Base-Backbone interact. energy: -0.164
local terms energy: -37.004856
where:
bonds (distance) C4'-P energy: -7.539
bonds (distance) P-C4' energy: -11.421
flat angles C4'-P-C4' energy: -5.835
flat angles P-C4'-P energy: -6.381
tors. eta vs tors. theta energy: -5.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -66.937736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.937736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.937736 (E_RNA)
where:
Base-Base interactions energy: -30.427
where: short stacking energy: -30.427
Base-Backbone interact. energy: -0.002
local terms energy: -36.508045
where:
bonds (distance) C4'-P energy: -7.982
bonds (distance) P-C4' energy: -10.069
flat angles C4'-P-C4' energy: -9.654
flat angles P-C4'-P energy: -3.823
tors. eta vs tors. theta energy: -4.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -71.658645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.658645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.658645 (E_RNA)
where:
Base-Base interactions energy: -35.847
where: short stacking energy: -23.274
Base-Backbone interact. energy: 0.860
local terms energy: -36.671753
where:
bonds (distance) C4'-P energy: -8.494
bonds (distance) P-C4' energy: -10.830
flat angles C4'-P-C4' energy: -11.910
flat angles P-C4'-P energy: -3.632
tors. eta vs tors. theta energy: -1.805
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: 1
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -70.735246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.735246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.735246 (E_RNA)
where:
Base-Base interactions energy: -27.433
where: short stacking energy: -21.904
Base-Backbone interact. energy: -0.030
local terms energy: -43.271937
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -7.364
flat angles P-C4'-P energy: -7.403
tors. eta vs tors. theta energy: -0.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -137.837816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.837816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.837816 (E_RNA)
where:
Base-Base interactions energy: -80.626
where: short stacking energy: -46.095
Base-Backbone interact. energy: -0.005
local terms energy: -57.206722
where:
bonds (distance) C4'-P energy: -10.371
bonds (distance) P-C4' energy: -12.191
flat angles C4'-P-C4' energy: -10.601
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -14.695
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: 2, replica: 8
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -138.860562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.860562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.860562 (E_RNA)
where:
Base-Base interactions energy: -84.895
where: short stacking energy: -55.251
Base-Backbone interact. energy: -0.005
local terms energy: -53.961299
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -9.245
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -14.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -122.559877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.559877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.559877 (E_RNA)
where:
Base-Base interactions energy: -70.717
where: short stacking energy: -32.642
Base-Backbone interact. energy: -0.358
local terms energy: -51.485216
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -10.765
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -6.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -83.069315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.069315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.069315 (E_RNA)
where:
Base-Base interactions energy: -35.921
where: short stacking energy: -35.921
Base-Backbone interact. energy: -0.023
local terms energy: -47.125214
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -10.268
flat angles C4'-P-C4' energy: -12.019
flat angles P-C4'-P energy: -6.364
tors. eta vs tors. theta energy: -7.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -74.097056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.097056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.097056 (E_RNA)
where:
Base-Base interactions energy: -29.045
where: short stacking energy: -29.045
Base-Backbone interact. energy: -0.108
local terms energy: -44.943980
where:
bonds (distance) C4'-P energy: -10.130
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -9.757
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -4.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -84.051433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.051433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.051433 (E_RNA)
where:
Base-Base interactions energy: -33.792
where: short stacking energy: -33.792
Base-Backbone interact. energy: -0.050
local terms energy: -50.209699
where:
bonds (distance) C4'-P energy: -10.735
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -7.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -78.827863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.827863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.827863 (E_RNA)
where:
Base-Base interactions energy: -34.540
where: short stacking energy: -34.540
Base-Backbone interact. energy: -0.017
local terms energy: -44.270484
where:
bonds (distance) C4'-P energy: -9.356
bonds (distance) P-C4' energy: -9.914
flat angles C4'-P-C4' energy: -11.084
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -5.980
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: 8, replica: 4
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -75.336988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.336988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.336988 (E_RNA)
where:
Base-Base interactions energy: -31.788
where: short stacking energy: -31.322
Base-Backbone interact. energy: 0.383
local terms energy: -43.932320
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -9.429
flat angles C4'-P-C4' energy: -10.263
flat angles P-C4'-P energy: -4.853
tors. eta vs tors. theta energy: -7.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -61.011393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.011393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.011393 (E_RNA)
where:
Base-Base interactions energy: -18.968
where: short stacking energy: -18.968
Base-Backbone interact. energy: -0.260
local terms energy: -41.783459
where:
bonds (distance) C4'-P energy: -9.870
bonds (distance) P-C4' energy: -9.854
flat angles C4'-P-C4' energy: -10.103
flat angles P-C4'-P energy: -7.893
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: 10, replica: 1
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -58.290873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.290873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.290873 (E_RNA)
where:
Base-Base interactions energy: -19.486
where: short stacking energy: -19.152
Base-Backbone interact. energy: 0.616
local terms energy: -39.421438
where:
bonds (distance) C4'-P energy: -12.130
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -7.046
flat angles P-C4'-P energy: -4.921
tors. eta vs tors. theta energy: -1.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -141.804889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.804889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.804889 (E_RNA)
where:
Base-Base interactions energy: -82.511
where: short stacking energy: -54.990
Base-Backbone interact. energy: -0.029
local terms energy: -59.264814
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -5.687
tors. eta vs tors. theta energy: -15.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -140.022110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.022110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.022110 (E_RNA)
where:
Base-Base interactions energy: -81.363
where: short stacking energy: -45.904
Base-Backbone interact. energy: -0.091
local terms energy: -58.568365
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -10.313
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -13.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -125.723305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.723305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.723305 (E_RNA)
where:
Base-Base interactions energy: -72.854
where: short stacking energy: -40.433
Base-Backbone interact. energy: -0.337
local terms energy: -52.532728
where:
bonds (distance) C4'-P energy: -10.558
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -5.522
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -14.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -92.132144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.132144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.132144 (E_RNA)
where:
Base-Base interactions energy: -39.665
where: short stacking energy: -39.665
Base-Backbone interact. energy: -0.104
local terms energy: -52.362666
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -9.691
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -8.862
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: 5, replica: 10
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -86.258536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.258536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.258536 (E_RNA)
where:
Base-Base interactions energy: -36.878
where: short stacking energy: -36.878
Base-Backbone interact. energy: -0.007
local terms energy: -49.373569
where:
bonds (distance) C4'-P energy: -9.373
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -8.918
flat angles P-C4'-P energy: -8.724
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: 3
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -78.498916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.498916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.498916 (E_RNA)
where:
Base-Base interactions energy: -32.632
where: short stacking energy: -32.632
Base-Backbone interact. energy: 0.392
local terms energy: -46.258969
where:
bonds (distance) C4'-P energy: -12.279
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -4.151
tors. eta vs tors. theta energy: -6.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -87.962808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.962808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.962808 (E_RNA)
where:
Base-Base interactions energy: -40.261
where: short stacking energy: -25.955
Base-Backbone interact. energy: -0.241
local terms energy: -47.460996
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -8.758
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -6.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -78.444928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.444928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.444928 (E_RNA)
where:
Base-Base interactions energy: -31.563
where: short stacking energy: -31.563
Base-Backbone interact. energy: -0.078
local terms energy: -46.804042
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -10.373
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -7.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -66.174791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.174791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.174791 (E_RNA)
where:
Base-Base interactions energy: -26.285
where: short stacking energy: -26.285
Base-Backbone interact. energy: -0.021
local terms energy: -39.869692
where:
bonds (distance) C4'-P energy: -9.486
bonds (distance) P-C4' energy: -11.286
flat angles C4'-P-C4' energy: -7.460
flat angles P-C4'-P energy: -7.926
tors. eta vs tors. theta energy: -3.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -72.187463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.187463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.187463 (E_RNA)
where:
Base-Base interactions energy: -36.182
where: short stacking energy: -25.081
Base-Backbone interact. energy: -0.066
local terms energy: -35.939850
where:
bonds (distance) C4'-P energy: -4.478
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -5.790
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: 1, replica: 8
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -149.701255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.701255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.701255 (E_RNA)
where:
Base-Base interactions energy: -91.337
where: short stacking energy: -53.669
Base-Backbone interact. energy: -0.009
local terms energy: -58.354682
where:
bonds (distance) C4'-P energy: -9.133
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -13.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -124.488046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.488046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.488046 (E_RNA)
where:
Base-Base interactions energy: -73.651
where: short stacking energy: -44.992
Base-Backbone interact. energy: -0.016
local terms energy: -50.820995
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -9.935
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -6.032
tors. eta vs tors. theta energy: -10.595
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: 169
Temperature: 1.000000
Total energy: -122.840705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.840705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.840705 (E_RNA)
where:
Base-Base interactions energy: -69.861
where: short stacking energy: -38.796
Base-Backbone interact. energy: -0.069
local terms energy: -52.910776
where:
bonds (distance) C4'-P energy: -7.997
bonds (distance) P-C4' energy: -13.463
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: -12.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -84.555025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.555025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.555025 (E_RNA)
where:
Base-Base interactions energy: -31.731
where: short stacking energy: -31.731
Base-Backbone interact. energy: -0.104
local terms energy: -52.719532
where:
bonds (distance) C4'-P energy: -10.821
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -7.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -88.641919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.641919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.641919 (E_RNA)
where:
Base-Base interactions energy: -29.738
where: short stacking energy: -26.316
Base-Backbone interact. energy: -0.029
local terms energy: -58.874265
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -7.019
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: 6, replica: 3
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -91.935077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.935077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.935077 (E_RNA)
where:
Base-Base interactions energy: -45.097
where: short stacking energy: -26.601
Base-Backbone interact. energy: -0.053
local terms energy: -46.784494
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -9.902
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -5.887
tors. eta vs tors. theta energy: -6.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -62.579957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.579957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.579957 (E_RNA)
where:
Base-Base interactions energy: -31.661
where: short stacking energy: -31.661
Base-Backbone interact. energy: -0.130
local terms energy: -30.788905
where:
bonds (distance) C4'-P energy: -7.178
bonds (distance) P-C4' energy: -6.956
flat angles C4'-P-C4' energy: -8.371
flat angles P-C4'-P energy: -5.567
tors. eta vs tors. theta energy: -2.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -59.220778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.220778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.220778 (E_RNA)
where:
Base-Base interactions energy: -17.085
where: short stacking energy: -17.085
Base-Backbone interact. energy: -0.107
local terms energy: -42.028661
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -9.072
flat angles P-C4'-P energy: -6.743
tors. eta vs tors. theta energy: -1.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -66.801729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.801729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.801729 (E_RNA)
where:
Base-Base interactions energy: -27.756
where: short stacking energy: -27.756
Base-Backbone interact. energy: -0.005
local terms energy: -39.040843
where:
bonds (distance) C4'-P energy: -9.369
bonds (distance) P-C4' energy: -11.971
flat angles C4'-P-C4' energy: -8.615
flat angles P-C4'-P energy: -4.341
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: 1
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -64.023727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.023727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.023727 (E_RNA)
where:
Base-Base interactions energy: -25.940
where: short stacking energy: -24.241
Base-Backbone interact. energy: -0.301
local terms energy: -37.782758
where:
bonds (distance) C4'-P energy: -5.469
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -9.601
flat angles P-C4'-P energy: -6.034
tors. eta vs tors. theta energy: -4.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -145.993536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.993536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.993536 (E_RNA)
where:
Base-Base interactions energy: -85.450
where: short stacking energy: -49.308
Base-Backbone interact. energy: -0.054
local terms energy: -60.489575
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -14.290
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: 8
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -131.871293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.871293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.871293 (E_RNA)
where:
Base-Base interactions energy: -73.642
where: short stacking energy: -46.333
Base-Backbone interact. energy: -0.000
local terms energy: -58.228755
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -14.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -120.240757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.240757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.240757 (E_RNA)
where:
Base-Base interactions energy: -69.109
where: short stacking energy: -41.676
Base-Backbone interact. energy: -0.105
local terms energy: -51.027175
where:
bonds (distance) C4'-P energy: -10.714
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -6.409
tors. eta vs tors. theta energy: -9.715
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: 10
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -86.497576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.497576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.497576 (E_RNA)
where:
Base-Base interactions energy: -37.005
where: short stacking energy: -37.005
Base-Backbone interact. energy: -0.162
local terms energy: -49.329715
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -5.306
tors. eta vs tors. theta energy: -6.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -76.742325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.742325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.742325 (E_RNA)
where:
Base-Base interactions energy: -29.668
where: short stacking energy: -29.668
Base-Backbone interact. energy: -0.059
local terms energy: -47.015066
where:
bonds (distance) C4'-P energy: -10.557
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -10.646
flat angles P-C4'-P energy: -6.030
tors. eta vs tors. theta energy: -8.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -75.106256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.106256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.106256 (E_RNA)
where:
Base-Base interactions energy: -26.642
where: short stacking energy: -24.381
Base-Backbone interact. energy: -0.074
local terms energy: -48.390589
where:
bonds (distance) C4'-P energy: -9.212
bonds (distance) P-C4' energy: -12.414
flat angles C4'-P-C4' energy: -10.571
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -5.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -81.283281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.283281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.283281 (E_RNA)
where:
Base-Base interactions energy: -29.518
where: short stacking energy: -28.788
Base-Backbone interact. energy: -1.210
local terms energy: -50.555170
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -11.383
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: -6.385
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: 9
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -68.911765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.911765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.911765 (E_RNA)
where:
Base-Base interactions energy: -21.903
where: short stacking energy: -21.903
Base-Backbone interact. energy: -0.057
local terms energy: -46.952279
where:
bonds (distance) C4'-P energy: -11.447
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -5.283
tors. eta vs tors. theta energy: -5.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -61.667414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.667414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.667414 (E_RNA)
where:
Base-Base interactions energy: -24.302
where: short stacking energy: -24.302
Base-Backbone interact. energy: -0.006
local terms energy: -37.359789
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -10.114
flat angles C4'-P-C4' energy: -5.082
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -2.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -59.710138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.710138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.710138 (E_RNA)
where:
Base-Base interactions energy: -21.478
where: short stacking energy: -21.478
Base-Backbone interact. energy: -0.199
local terms energy: -38.032483
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -8.998
flat angles C4'-P-C4' energy: -10.130
flat angles P-C4'-P energy: -5.942
tors. eta vs tors. theta energy: -1.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -141.988264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.988264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.988264 (E_RNA)
where:
Base-Base interactions energy: -83.616
where: short stacking energy: -46.375
Base-Backbone interact. energy: -0.100
local terms energy: -58.271785
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -10.618
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -11.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -140.655426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.655426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.655426 (E_RNA)
where:
Base-Base interactions energy: -80.320
where: short stacking energy: -44.356
Base-Backbone interact. energy: -0.106
local terms energy: -60.229575
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -12.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -132.301685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.301685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.301685 (E_RNA)
where:
Base-Base interactions energy: -72.148
where: short stacking energy: -39.533
Base-Backbone interact. energy: -0.004
local terms energy: -60.149984
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -6.474
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: 4, replica: 2
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -83.226847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.226847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.226847 (E_RNA)
where:
Base-Base interactions energy: -33.785
where: short stacking energy: -33.785
Base-Backbone interact. energy: 0.088
local terms energy: -49.529993
where:
bonds (distance) C4'-P energy: -6.628
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -9.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -89.331814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.331814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.331814 (E_RNA)
where:
Base-Base interactions energy: -39.083
where: short stacking energy: -39.083
Base-Backbone interact. energy: -0.000
local terms energy: -50.248473
where:
bonds (distance) C4'-P energy: -8.934
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: -9.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -84.696505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.696505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.696505 (E_RNA)
where:
Base-Base interactions energy: -35.316
where: short stacking energy: -35.316
Base-Backbone interact. energy: -0.007
local terms energy: -49.373160
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -8.569
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -7.167
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: 3
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -65.150554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.150554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.150554 (E_RNA)
where:
Base-Base interactions energy: -27.387
where: short stacking energy: -27.387
Base-Backbone interact. energy: -0.017
local terms energy: -37.746382
where:
bonds (distance) C4'-P energy: -6.261
bonds (distance) P-C4' energy: -10.259
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -1.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -71.749567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.749567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.749567 (E_RNA)
where:
Base-Base interactions energy: -31.123
where: short stacking energy: -31.123
Base-Backbone interact. energy: -0.009
local terms energy: -40.617443
where:
bonds (distance) C4'-P energy: -8.471
bonds (distance) P-C4' energy: -10.727
flat angles C4'-P-C4' energy: -8.862
flat angles P-C4'-P energy: -3.867
tors. eta vs tors. theta energy: -8.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -59.660193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.660193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.660193 (E_RNA)
where:
Base-Base interactions energy: -23.356
where: short stacking energy: -17.833
Base-Backbone interact. energy: -0.019
local terms energy: -36.285190
where:
bonds (distance) C4'-P energy: -10.033
bonds (distance) P-C4' energy: -8.094
flat angles C4'-P-C4' energy: -8.348
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -1.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -54.493442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.493442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.493442 (E_RNA)
where:
Base-Base interactions energy: -22.800
where: short stacking energy: -14.984
Base-Backbone interact. energy: 0.536
local terms energy: -32.229701
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -6.496
flat angles C4'-P-C4' energy: -10.015
flat angles P-C4'-P energy: -4.516
tors. eta vs tors. theta energy: 0.402
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: 1, replica: 8
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -142.449186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.449186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.449186 (E_RNA)
where:
Base-Base interactions energy: -81.880
where: short stacking energy: -48.187
Base-Backbone interact. energy: -0.006
local terms energy: -60.562806
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -12.042
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -6.639
tors. eta vs tors. theta energy: -16.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -138.921519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.921519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.921519 (E_RNA)
where:
Base-Base interactions energy: -80.624
where: short stacking energy: -48.243
Base-Backbone interact. energy: -0.014
local terms energy: -58.283145
where:
bonds (distance) C4'-P energy: -11.667
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -5.917
tors. eta vs tors. theta energy: -13.247
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: 3, replica: 5
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -116.609859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.609859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.609859 (E_RNA)
where:
Base-Base interactions energy: -61.082
where: short stacking energy: -37.812
Base-Backbone interact. energy: -0.050
local terms energy: -55.478060
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -9.481
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -10.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -88.078656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.078656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.078656 (E_RNA)
where:
Base-Base interactions energy: -39.484
where: short stacking energy: -37.844
Base-Backbone interact. energy: -0.035
local terms energy: -48.559192
where:
bonds (distance) C4'-P energy: -10.429
bonds (distance) P-C4' energy: -9.513
flat angles C4'-P-C4' energy: -11.201
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -7.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -80.990110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.990110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.990110 (E_RNA)
where:
Base-Base interactions energy: -38.454
where: short stacking energy: -38.454
Base-Backbone interact. energy: -0.076
local terms energy: -42.460013
where:
bonds (distance) C4'-P energy: -8.082
bonds (distance) P-C4' energy: -8.937
flat angles C4'-P-C4' energy: -11.020
flat angles P-C4'-P energy: -6.187
tors. eta vs tors. theta energy: -8.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -77.063753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.063753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.063753 (E_RNA)
where:
Base-Base interactions energy: -31.819
where: short stacking energy: -31.819
Base-Backbone interact. energy: 0.437
local terms energy: -45.681643
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -11.629
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -2.548
tors. eta vs tors. theta energy: -7.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -84.713917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.713917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.713917 (E_RNA)
where:
Base-Base interactions energy: -33.258
where: short stacking energy: -33.258
Base-Backbone interact. energy: -0.016
local terms energy: -51.439969
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -11.653
flat angles C4'-P-C4' energy: -9.937
flat angles P-C4'-P energy: -6.514
tors. eta vs tors. theta energy: -9.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -73.362443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.362443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.362443 (E_RNA)
where:
Base-Base interactions energy: -30.273
where: short stacking energy: -30.273
Base-Backbone interact. energy: -0.185
local terms energy: -42.903880
where:
bonds (distance) C4'-P energy: -8.151
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -9.594
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -6.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -67.402451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.402451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.402451 (E_RNA)
where:
Base-Base interactions energy: -30.544
where: short stacking energy: -29.866
Base-Backbone interact. energy: 0.563
local terms energy: -37.420815
where:
bonds (distance) C4'-P energy: -12.092
bonds (distance) P-C4' energy: -8.104
flat angles C4'-P-C4' energy: -9.862
flat angles P-C4'-P energy: -5.276
tors. eta vs tors. theta energy: -2.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -57.805457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.805457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.805457 (E_RNA)
where:
Base-Base interactions energy: -16.696
where: short stacking energy: -16.696
Base-Backbone interact. energy: -0.175
local terms energy: -40.935032
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -9.814
flat angles C4'-P-C4' energy: -11.581
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -0.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -153.430383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.430383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.430383 (E_RNA)
where:
Base-Base interactions energy: -93.436
where: short stacking energy: -53.041
Base-Backbone interact. energy: -0.039
local terms energy: -59.955605
where:
bonds (distance) C4'-P energy: -10.263
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -15.935
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: 6
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -130.708937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.708937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.708937 (E_RNA)
where:
Base-Base interactions energy: -71.229
where: short stacking energy: -46.381
Base-Backbone interact. energy: -0.034
local terms energy: -59.445217
where:
bonds (distance) C4'-P energy: -10.760
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -13.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -130.035887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.035887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.035887 (E_RNA)
where:
Base-Base interactions energy: -75.380
where: short stacking energy: -45.181
Base-Backbone interact. energy: -0.002
local terms energy: -54.654533
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -11.128
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -10.417
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: 4, replica: 4
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -89.435692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.435692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.435692 (E_RNA)
where:
Base-Base interactions energy: -41.042
where: short stacking energy: -28.028
Base-Backbone interact. energy: -0.306
local terms energy: -48.088374
where:
bonds (distance) C4'-P energy: -10.013
bonds (distance) P-C4' energy: -10.795
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -8.238
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: 5, replica: 2
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -84.533412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.533412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.533412 (E_RNA)
where:
Base-Base interactions energy: -35.649
where: short stacking energy: -35.749
Base-Backbone interact. energy: -0.041
local terms energy: -48.843322
where:
bonds (distance) C4'-P energy: -11.622
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -8.927
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -8.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -83.606351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.606351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.606351 (E_RNA)
where:
Base-Base interactions energy: -33.598
where: short stacking energy: -33.598
Base-Backbone interact. energy: -0.175
local terms energy: -49.832951
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -10.663
flat angles P-C4'-P energy: -3.861
tors. eta vs tors. theta energy: -10.306
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: 10
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -70.559496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.559496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.559496 (E_RNA)
where:
Base-Base interactions energy: -33.567
where: short stacking energy: -33.567
Base-Backbone interact. energy: 1.920
local terms energy: -38.912446
where:
bonds (distance) C4'-P energy: -7.473
bonds (distance) P-C4' energy: -10.830
flat angles C4'-P-C4' energy: -7.935
flat angles P-C4'-P energy: -6.347
tors. eta vs tors. theta energy: -6.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -65.675246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.675246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.675246 (E_RNA)
where:
Base-Base interactions energy: -18.993
where: short stacking energy: -18.993
Base-Backbone interact. energy: -0.079
local terms energy: -46.603617
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -9.604
flat angles C4'-P-C4' energy: -9.186
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -5.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -57.546997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.546997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.546997 (E_RNA)
where:
Base-Base interactions energy: -21.468
where: short stacking energy: -15.142
Base-Backbone interact. energy: -0.621
local terms energy: -35.457751
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -9.479
flat angles C4'-P-C4' energy: -8.766
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: 0.808
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: 10, replica: 9
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -55.085152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.085152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.085152 (E_RNA)
where:
Base-Base interactions energy: -16.583
where: short stacking energy: -12.844
Base-Backbone interact. energy: -0.235
local terms energy: -38.266695
where:
bonds (distance) C4'-P energy: -11.194
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -7.978
flat angles P-C4'-P energy: -10.258
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: 8
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -140.645892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.645892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.645892 (E_RNA)
where:
Base-Base interactions energy: -78.659
where: short stacking energy: -45.352
Base-Backbone interact. energy: -0.091
local terms energy: -61.895415
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -11.979
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: -15.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -133.852241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.852241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.852241 (E_RNA)
where:
Base-Base interactions energy: -82.426
where: short stacking energy: -44.267
Base-Backbone interact. energy: -0.645
local terms energy: -50.781064
where:
bonds (distance) C4'-P energy: -12.167
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -6.726
tors. eta vs tors. theta energy: -6.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -118.318910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.318910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.318910 (E_RNA)
where:
Base-Base interactions energy: -69.515
where: short stacking energy: -42.536
Base-Backbone interact. energy: -0.000
local terms energy: -48.803525
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -6.151
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -10.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -93.713886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.713886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.713886 (E_RNA)
where:
Base-Base interactions energy: -43.126
where: short stacking energy: -43.126
Base-Backbone interact. energy: -0.670
local terms energy: -49.917232
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -10.963
flat angles C4'-P-C4' energy: -10.055
flat angles P-C4'-P energy: -7.836
tors. eta vs tors. theta energy: -8.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -84.297628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.297628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.297628 (E_RNA)
where:
Base-Base interactions energy: -36.462
where: short stacking energy: -32.396
Base-Backbone interact. energy: 0.230
local terms energy: -48.065581
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -11.991
flat angles C4'-P-C4' energy: -11.919
flat angles P-C4'-P energy: -5.235
tors. eta vs tors. theta energy: -6.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -81.736897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.736897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.736897 (E_RNA)
where:
Base-Base interactions energy: -30.771
where: short stacking energy: -30.771
Base-Backbone interact. energy: -0.002
local terms energy: -50.963752
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -9.947
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -8.209
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: 7, replica: 1
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -70.211334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.211334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.211334 (E_RNA)
where:
Base-Base interactions energy: -24.949
where: short stacking energy: -21.883
Base-Backbone interact. energy: 0.843
local terms energy: -46.105324
where:
bonds (distance) C4'-P energy: -10.535
bonds (distance) P-C4' energy: -11.737
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -5.230
tors. eta vs tors. theta energy: -6.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -74.897535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.897535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.897535 (E_RNA)
where:
Base-Base interactions energy: -30.950
where: short stacking energy: -27.978
Base-Backbone interact. energy: -0.111
local terms energy: -43.836294
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -7.852
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -5.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -75.613973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.613973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.613973 (E_RNA)
where:
Base-Base interactions energy: -30.084
where: short stacking energy: -30.084
Base-Backbone interact. energy: -0.205
local terms energy: -45.325708
where:
bonds (distance) C4'-P energy: -12.043
bonds (distance) P-C4' energy: -10.519
flat angles C4'-P-C4' energy: -5.942
flat angles P-C4'-P energy: -7.734
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: 10, replica: 3
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -71.897463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.897463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.897463 (E_RNA)
where:
Base-Base interactions energy: -29.518
where: short stacking energy: -19.614
Base-Backbone interact. energy: 1.090
local terms energy: -43.469721
where:
bonds (distance) C4'-P energy: -12.391
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -7.183
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -2.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -147.367080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.367080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.367080 (E_RNA)
where:
Base-Base interactions energy: -86.222
where: short stacking energy: -49.129
Base-Backbone interact. energy: -0.050
local terms energy: -61.094453
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: -15.156
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: 6
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -136.608189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.608189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.608189 (E_RNA)
where:
Base-Base interactions energy: -80.281
where: short stacking energy: -50.020
Base-Backbone interact. energy: -0.017
local terms energy: -56.310858
where:
bonds (distance) C4'-P energy: -10.474
bonds (distance) P-C4' energy: -10.280
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -13.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -120.029591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.029591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.029591 (E_RNA)
where:
Base-Base interactions energy: -70.876
where: short stacking energy: -40.340
Base-Backbone interact. energy: -0.256
local terms energy: -48.898020
where:
bonds (distance) C4'-P energy: -12.813
bonds (distance) P-C4' energy: -10.622
flat angles C4'-P-C4' energy: -8.895
flat angles P-C4'-P energy: -5.142
tors. eta vs tors. theta energy: -11.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -87.543125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.543125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.543125 (E_RNA)
where:
Base-Base interactions energy: -39.246
where: short stacking energy: -39.246
Base-Backbone interact. energy: -0.010
local terms energy: -48.287846
where:
bonds (distance) C4'-P energy: -11.228
bonds (distance) P-C4' energy: -10.231
flat angles C4'-P-C4' energy: -11.482
flat angles P-C4'-P energy: -5.732
tors. eta vs tors. theta energy: -9.615
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: 4
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -89.626432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.626432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.626432 (E_RNA)
where:
Base-Base interactions energy: -40.387
where: short stacking energy: -40.387
Base-Backbone interact. energy: -0.010
local terms energy: -49.228784
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -9.039
flat angles C4'-P-C4' energy: -9.776
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -10.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -71.638165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.638165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.638165 (E_RNA)
where:
Base-Base interactions energy: -31.622
where: short stacking energy: -28.731
Base-Backbone interact. energy: -0.291
local terms energy: -39.725523
where:
bonds (distance) C4'-P energy: -8.534
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -8.800
flat angles P-C4'-P energy: -5.274
tors. eta vs tors. theta energy: -4.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -79.107280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.107280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.107280 (E_RNA)
where:
Base-Base interactions energy: -33.717
where: short stacking energy: -33.717
Base-Backbone interact. energy: -0.031
local terms energy: -45.359521
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -11.163
flat angles P-C4'-P energy: -1.327
tors. eta vs tors. theta energy: -7.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -64.538303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.538303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.538303 (E_RNA)
where:
Base-Base interactions energy: -23.836
where: short stacking energy: -23.064
Base-Backbone interact. energy: -0.152
local terms energy: -40.550424
where:
bonds (distance) C4'-P energy: -9.203
bonds (distance) P-C4' energy: -11.140
flat angles C4'-P-C4' energy: -10.081
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -2.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -80.988174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.988174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.988174 (E_RNA)
where:
Base-Base interactions energy: -31.180
where: short stacking energy: -31.180
Base-Backbone interact. energy: -0.197
local terms energy: -49.611412
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -14.932
flat angles C4'-P-C4' energy: -9.746
flat angles P-C4'-P energy: -3.701
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: 10, replica: 3
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -64.441087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.441087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.441087 (E_RNA)
where:
Base-Base interactions energy: -25.461
where: short stacking energy: -21.082
Base-Backbone interact. energy: 1.043
local terms energy: -40.022535
where:
bonds (distance) C4'-P energy: -7.626
bonds (distance) P-C4' energy: -9.404
flat angles C4'-P-C4' energy: -10.630
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -4.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -145.264793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.264793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.264793 (E_RNA)
where:
Base-Base interactions energy: -87.158
where: short stacking energy: -53.547
Base-Backbone interact. energy: -0.090
local terms energy: -58.016961
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -7.106
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: 2, replica: 8
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -132.937915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.937915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.937915 (E_RNA)
where:
Base-Base interactions energy: -74.464
where: short stacking energy: -47.028
Base-Backbone interact. energy: -0.164
local terms energy: -58.309615
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -11.580
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -12.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -123.122800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.122800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.122800 (E_RNA)
where:
Base-Base interactions energy: -69.642
where: short stacking energy: -42.023
Base-Backbone interact. energy: 0.043
local terms energy: -53.523764
where:
bonds (distance) C4'-P energy: -10.917
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -9.033
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -10.926
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: 7
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -99.476826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.476826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.476826 (E_RNA)
where:
Base-Base interactions energy: -48.505
where: short stacking energy: -48.505
Base-Backbone interact. energy: -0.064
local terms energy: -50.907721
where:
bonds (distance) C4'-P energy: -8.458
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -5.669
tors. eta vs tors. theta energy: -11.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -69.766121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.766121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.766121 (E_RNA)
where:
Base-Base interactions energy: -26.051
where: short stacking energy: -26.051
Base-Backbone interact. energy: -0.062
local terms energy: -43.652986
where:
bonds (distance) C4'-P energy: -9.886
bonds (distance) P-C4' energy: -9.641
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -3.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -75.889131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.889131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.889131 (E_RNA)
where:
Base-Base interactions energy: -34.766
where: short stacking energy: -31.748
Base-Backbone interact. energy: -0.194
local terms energy: -40.928729
where:
bonds (distance) C4'-P energy: -7.866
bonds (distance) P-C4' energy: -9.731
flat angles C4'-P-C4' energy: -11.163
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -4.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -83.609133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.609133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.609133 (E_RNA)
where:
Base-Base interactions energy: -29.887
where: short stacking energy: -29.887
Base-Backbone interact. energy: -0.002
local terms energy: -53.720801
where:
bonds (distance) C4'-P energy: -9.667
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -8.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -74.262017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.262017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.262017 (E_RNA)
where:
Base-Base interactions energy: -30.152
where: short stacking energy: -29.656
Base-Backbone interact. energy: -0.118
local terms energy: -43.991910
where:
bonds (distance) C4'-P energy: -5.358
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -6.839
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -9.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -68.182537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.182537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.182537 (E_RNA)
where:
Base-Base interactions energy: -25.885
where: short stacking energy: -23.592
Base-Backbone interact. energy: -0.018
local terms energy: -42.279131
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -10.595
flat angles C4'-P-C4' energy: -6.361
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -5.572
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: 10, replica: 10
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -64.057843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.057843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.057843 (E_RNA)
where:
Base-Base interactions energy: -21.606
where: short stacking energy: -21.155
Base-Backbone interact. energy: -0.107
local terms energy: -42.344455
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -8.651
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: 1.732
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: 6
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -133.256670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.256670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.256670 (E_RNA)
where:
Base-Base interactions energy: -74.333
where: short stacking energy: -45.419
Base-Backbone interact. energy: -0.063
local terms energy: -58.861098
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -12.550
flat angles C4'-P-C4' energy: -11.768
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -12.303
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: 8
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -133.546868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.546868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.546868 (E_RNA)
where:
Base-Base interactions energy: -75.237
where: short stacking energy: -50.143
Base-Backbone interact. energy: -0.032
local terms energy: -58.277874
where:
bonds (distance) C4'-P energy: -10.702
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -12.365
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -11.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -115.525803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.525803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.525803 (E_RNA)
where:
Base-Base interactions energy: -67.859
where: short stacking energy: -40.596
Base-Backbone interact. energy: 0.324
local terms energy: -47.991218
where:
bonds (distance) C4'-P energy: -8.284
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -6.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -89.620698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.620698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.620698 (E_RNA)
where:
Base-Base interactions energy: -45.498
where: short stacking energy: -41.468
Base-Backbone interact. energy: -0.002
local terms energy: -44.121437
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -9.061
flat angles P-C4'-P energy: -6.327
tors. eta vs tors. theta energy: -6.930
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: 5, replica: 7
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -86.789303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.789303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.789303 (E_RNA)
where:
Base-Base interactions energy: -35.940
where: short stacking energy: -31.374
Base-Backbone interact. energy: -0.014
local terms energy: -50.835203
where:
bonds (distance) C4'-P energy: -10.764
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -7.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -87.845542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.845542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.845542 (E_RNA)
where:
Base-Base interactions energy: -41.533
where: short stacking energy: -41.533
Base-Backbone interact. energy: -0.010
local terms energy: -46.302735
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -10.071
flat angles P-C4'-P energy: -5.532
tors. eta vs tors. theta energy: -7.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -72.828896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.828896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.828896 (E_RNA)
where:
Base-Base interactions energy: -30.421
where: short stacking energy: -30.421
Base-Backbone interact. energy: -0.043
local terms energy: -42.365362
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -8.580
flat angles C4'-P-C4' energy: -7.827
flat angles P-C4'-P energy: -5.853
tors. eta vs tors. theta energy: -8.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -75.434098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.434098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.434098 (E_RNA)
where:
Base-Base interactions energy: -33.175
where: short stacking energy: -29.522
Base-Backbone interact. energy: -0.066
local terms energy: -42.193083
where:
bonds (distance) C4'-P energy: -10.171
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -10.646
flat angles P-C4'-P energy: -1.228
tors. eta vs tors. theta energy: -6.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -63.415885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.415885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.415885 (E_RNA)
where:
Base-Base interactions energy: -20.364
where: short stacking energy: -20.364
Base-Backbone interact. energy: -0.125
local terms energy: -42.927515
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -9.440
flat angles P-C4'-P energy: -5.395
tors. eta vs tors. theta energy: -5.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -58.666186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.666186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.666186 (E_RNA)
where:
Base-Base interactions energy: -21.798
where: short stacking energy: -21.798
Base-Backbone interact. energy: -0.213
local terms energy: -36.655509
where:
bonds (distance) C4'-P energy: -10.528
bonds (distance) P-C4' energy: -9.930
flat angles C4'-P-C4' energy: -7.661
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -0.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -130.573008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.573008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.573008 (E_RNA)
where:
Base-Base interactions energy: -76.469
where: short stacking energy: -47.493
Base-Backbone interact. energy: -0.002
local terms energy: -54.102101
where:
bonds (distance) C4'-P energy: -10.565
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -6.020
tors. eta vs tors. theta energy: -12.376
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: 8
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -134.350360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.350360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.350360 (E_RNA)
where:
Base-Base interactions energy: -77.908
where: short stacking energy: -46.459
Base-Backbone interact. energy: -0.003
local terms energy: -56.439602
where:
bonds (distance) C4'-P energy: -10.516
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -7.479
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: 3, replica: 5
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -111.563746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.563746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.563746 (E_RNA)
where:
Base-Base interactions energy: -64.390
where: short stacking energy: -36.690
Base-Backbone interact. energy: 0.813
local terms energy: -47.986987
where:
bonds (distance) C4'-P energy: -10.636
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -11.221
flat angles P-C4'-P energy: -5.688
tors. eta vs tors. theta energy: -7.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -79.405807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.405807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.405807 (E_RNA)
where:
Base-Base interactions energy: -31.248
where: short stacking energy: -31.248
Base-Backbone interact. energy: -0.254
local terms energy: -47.904161
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -8.170
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: 5, replica: 2
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -81.601391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.601391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.601391 (E_RNA)
where:
Base-Base interactions energy: -34.957
where: short stacking energy: -34.957
Base-Backbone interact. energy: -0.083
local terms energy: -46.560935
where:
bonds (distance) C4'-P energy: -11.046
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -6.194
tors. eta vs tors. theta energy: -3.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -67.969681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.969681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.969681 (E_RNA)
where:
Base-Base interactions energy: -23.720
where: short stacking energy: -23.720
Base-Backbone interact. energy: -0.197
local terms energy: -44.053573
where:
bonds (distance) C4'-P energy: -10.210
bonds (distance) P-C4' energy: -11.672
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -0.891
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: 3
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -81.114701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.114701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.114701 (E_RNA)
where:
Base-Base interactions energy: -30.479
where: short stacking energy: -30.479
Base-Backbone interact. energy: -0.001
local terms energy: -50.634966
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -10.792
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -5.945
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: 8, replica: 4
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -68.870220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.870220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.870220 (E_RNA)
where:
Base-Base interactions energy: -24.299
where: short stacking energy: -16.404
Base-Backbone interact. energy: -0.019
local terms energy: -44.552018
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -11.419
flat angles P-C4'-P energy: -4.186
tors. eta vs tors. theta energy: -3.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -78.711862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.711862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.711862 (E_RNA)
where:
Base-Base interactions energy: -43.448
where: short stacking energy: -22.872
Base-Backbone interact. energy: 0.545
local terms energy: -35.809078
where:
bonds (distance) C4'-P energy: -9.961
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -3.509
flat angles P-C4'-P energy: -5.938
tors. eta vs tors. theta energy: -4.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -61.467028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.467028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.467028 (E_RNA)
where:
Base-Base interactions energy: -22.841
where: short stacking energy: -22.841
Base-Backbone interact. energy: -0.093
local terms energy: -38.532236
where:
bonds (distance) C4'-P energy: -11.249
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -2.416
tors. eta vs tors. theta energy: 0.340
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: 1, replica: 6
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -137.216431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.216431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.216431 (E_RNA)
where:
Base-Base interactions energy: -80.612
where: short stacking energy: -49.786
Base-Backbone interact. energy: -0.058
local terms energy: -56.546494
where:
bonds (distance) C4'-P energy: -9.238
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -13.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -127.450621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.450621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.450621 (E_RNA)
where:
Base-Base interactions energy: -71.961
where: short stacking energy: -35.473
Base-Backbone interact. energy: -0.194
local terms energy: -55.295758
where:
bonds (distance) C4'-P energy: -10.157
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -12.128
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: 5
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -119.354836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.354836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.354836 (E_RNA)
where:
Base-Base interactions energy: -68.644
where: short stacking energy: -38.816
Base-Backbone interact. energy: -0.268
local terms energy: -50.443301
where:
bonds (distance) C4'-P energy: -8.479
bonds (distance) P-C4' energy: -12.367
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: -11.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -97.308350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.308350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.308350 (E_RNA)
where:
Base-Base interactions energy: -40.917
where: short stacking energy: -40.917
Base-Backbone interact. energy: -0.014
local terms energy: -56.377138
where:
bonds (distance) C4'-P energy: -10.643
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -5.953
tors. eta vs tors. theta energy: -11.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -80.281398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.281398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.281398 (E_RNA)
where:
Base-Base interactions energy: -29.390
where: short stacking energy: -29.390
Base-Backbone interact. energy: -0.060
local terms energy: -50.830714
where:
bonds (distance) C4'-P energy: -10.093
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -13.322
flat angles P-C4'-P energy: -5.823
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: 6, replica: 7
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -77.849259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.849259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.849259 (E_RNA)
where:
Base-Base interactions energy: -28.985
where: short stacking energy: -28.802
Base-Backbone interact. energy: 0.696
local terms energy: -49.560853
where:
bonds (distance) C4'-P energy: -12.457
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -11.472
flat angles P-C4'-P energy: -4.768
tors. eta vs tors. theta energy: -7.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -75.203092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.203092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.203092 (E_RNA)
where:
Base-Base interactions energy: -29.303
where: short stacking energy: -29.303
Base-Backbone interact. energy: -0.966
local terms energy: -44.934897
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -5.606
flat angles P-C4'-P energy: -3.772
tors. eta vs tors. theta energy: -10.453
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: 10
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -63.760524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.760524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.760524 (E_RNA)
where:
Base-Base interactions energy: -23.462
where: short stacking energy: -23.355
Base-Backbone interact. energy: -0.040
local terms energy: -40.258793
where:
bonds (distance) C4'-P energy: -9.328
bonds (distance) P-C4' energy: -10.979
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -8.325
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: 9, replica: 4
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -59.578422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.578422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.578422 (E_RNA)
where:
Base-Base interactions energy: -24.065
where: short stacking energy: -24.065
Base-Backbone interact. energy: -0.003
local terms energy: -35.510561
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -8.630
flat angles C4'-P-C4' energy: -9.230
flat angles P-C4'-P energy: -3.441
tors. eta vs tors. theta energy: -1.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -62.317682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.317682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.317682 (E_RNA)
where:
Base-Base interactions energy: -18.663
where: short stacking energy: -18.663
Base-Backbone interact. energy: -0.239
local terms energy: -43.416320
where:
bonds (distance) C4'-P energy: -9.338
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -4.540
tors. eta vs tors. theta energy: -2.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -122.574466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.574466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.574466 (E_RNA)
where:
Base-Base interactions energy: -68.540
where: short stacking energy: -35.925
Base-Backbone interact. energy: -0.232
local terms energy: -53.802579
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -9.750
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -9.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -128.212513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.212513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.212513 (E_RNA)
where:
Base-Base interactions energy: -69.850
where: short stacking energy: -43.926
Base-Backbone interact. energy: -0.034
local terms energy: -58.327979
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -8.511
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: 3, replica: 5
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -124.425029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.425029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.425029 (E_RNA)
where:
Base-Base interactions energy: -74.728
where: short stacking energy: -46.632
Base-Backbone interact. energy: 1.009
local terms energy: -50.706450
where:
bonds (distance) C4'-P energy: -9.737
bonds (distance) P-C4' energy: -11.987
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -4.983
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: 4, replica: 2
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -87.866335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.866335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.866335 (E_RNA)
where:
Base-Base interactions energy: -45.522
where: short stacking energy: -35.341
Base-Backbone interact. energy: -0.172
local terms energy: -42.172542
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -5.427
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -6.380
tors. eta vs tors. theta energy: -5.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -73.995040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.995040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.995040 (E_RNA)
where:
Base-Base interactions energy: -33.166
where: short stacking energy: -31.575
Base-Backbone interact. energy: -0.086
local terms energy: -40.743273
where:
bonds (distance) C4'-P energy: -9.634
bonds (distance) P-C4' energy: -12.102
flat angles C4'-P-C4' energy: -10.519
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -0.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -78.437254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.437254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.437254 (E_RNA)
where:
Base-Base interactions energy: -30.746
where: short stacking energy: -27.406
Base-Backbone interact. energy: -0.030
local terms energy: -47.661154
where:
bonds (distance) C4'-P energy: -10.917
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -6.860
tors. eta vs tors. theta energy: -3.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -65.928860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.928860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.928860 (E_RNA)
where:
Base-Base interactions energy: -30.500
where: short stacking energy: -20.033
Base-Backbone interact. energy: 1.278
local terms energy: -36.706213
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -6.183
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: 1.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -67.197572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.197572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.197572 (E_RNA)
where:
Base-Base interactions energy: -24.623
where: short stacking energy: -24.623
Base-Backbone interact. energy: -0.008
local terms energy: -42.566521
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -11.802
flat angles C4'-P-C4' energy: -8.567
flat angles P-C4'-P energy: -7.247
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: 9, replica: 9
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -67.582672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.582672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.582672 (E_RNA)
where:
Base-Base interactions energy: -19.975
where: short stacking energy: -19.975
Base-Backbone interact. energy: -0.093
local terms energy: -47.515254
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -10.511
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: -6.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -59.977747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.977747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.977747 (E_RNA)
where:
Base-Base interactions energy: -20.439
where: short stacking energy: -19.377
Base-Backbone interact. energy: -0.022
local terms energy: -39.516988
where:
bonds (distance) C4'-P energy: -7.952
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -10.186
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: -2.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -126.582196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.582196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.582196 (E_RNA)
where:
Base-Base interactions energy: -76.942
where: short stacking energy: -46.367
Base-Backbone interact. energy: -0.055
local terms energy: -49.585245
where:
bonds (distance) C4'-P energy: -10.275
bonds (distance) P-C4' energy: -10.830
flat angles C4'-P-C4' energy: -10.642
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -11.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -128.795469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.795469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.795469 (E_RNA)
where:
Base-Base interactions energy: -75.165
where: short stacking energy: -45.067
Base-Backbone interact. energy: -0.155
local terms energy: -53.475104
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -10.891
flat angles C4'-P-C4' energy: -7.445
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -13.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -122.519535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.519535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.519535 (E_RNA)
where:
Base-Base interactions energy: -66.355
where: short stacking energy: -37.172
Base-Backbone interact. energy: -0.306
local terms energy: -55.858129
where:
bonds (distance) C4'-P energy: -9.434
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -11.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -83.869867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.869867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.869867 (E_RNA)
where:
Base-Base interactions energy: -35.383
where: short stacking energy: -28.619
Base-Backbone interact. energy: -0.187
local terms energy: -48.299997
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -12.456
flat angles C4'-P-C4' energy: -10.859
flat angles P-C4'-P energy: -9.767
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: 5, replica: 7
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -78.495089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.495089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.495089 (E_RNA)
where:
Base-Base interactions energy: -38.132
where: short stacking energy: -38.132
Base-Backbone interact. energy: -0.124
local terms energy: -40.239464
where:
bonds (distance) C4'-P energy: -7.257
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -10.562
flat angles P-C4'-P energy: -2.725
tors. eta vs tors. theta energy: -7.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -91.175778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.175778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.175778 (E_RNA)
where:
Base-Base interactions energy: -44.090
where: short stacking energy: -31.819
Base-Backbone interact. energy: -0.019
local terms energy: -47.066896
where:
bonds (distance) C4'-P energy: -12.068
bonds (distance) P-C4' energy: -11.316
flat angles C4'-P-C4' energy: -10.169
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -5.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -71.883542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.883542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.883542 (E_RNA)
where:
Base-Base interactions energy: -27.323
where: short stacking energy: -27.323
Base-Backbone interact. energy: -0.149
local terms energy: -44.410726
where:
bonds (distance) C4'-P energy: -8.335
bonds (distance) P-C4' energy: -8.858
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -4.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -71.275016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.275016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.275016 (E_RNA)
where:
Base-Base interactions energy: -31.435
where: short stacking energy: -14.402
Base-Backbone interact. energy: -0.102
local terms energy: -39.738074
where:
bonds (distance) C4'-P energy: -11.579
bonds (distance) P-C4' energy: -10.408
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -6.850
tors. eta vs tors. theta energy: 2.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -64.792757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.792757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.792757 (E_RNA)
where:
Base-Base interactions energy: -25.293
where: short stacking energy: -25.293
Base-Backbone interact. energy: -0.147
local terms energy: -39.352279
where:
bonds (distance) C4'-P energy: -8.538
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -11.350
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: 1.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -62.157376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.157376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.157376 (E_RNA)
where:
Base-Base interactions energy: -24.019
where: short stacking energy: -24.019
Base-Backbone interact. energy: -0.109
local terms energy: -38.028582
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -7.151
flat angles C4'-P-C4' energy: -9.652
flat angles P-C4'-P energy: -4.786
tors. eta vs tors. theta energy: -4.259
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: 1, replica: 5
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -130.584064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.584064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.584064 (E_RNA)
where:
Base-Base interactions energy: -73.652
where: short stacking energy: -46.826
Base-Backbone interact. energy: -0.031
local terms energy: -56.901097
where:
bonds (distance) C4'-P energy: -7.651
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -11.593
flat angles P-C4'-P energy: -11.098
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: 2, replica: 8
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -123.832975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.832975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.832975 (E_RNA)
where:
Base-Base interactions energy: -73.570
where: short stacking energy: -44.062
Base-Backbone interact. energy: -0.010
local terms energy: -50.252682
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -10.626
flat angles C4'-P-C4' energy: -11.501
flat angles P-C4'-P energy: -6.600
tors. eta vs tors. theta energy: -8.638
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: 6
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -135.436538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.436538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.436538 (E_RNA)
where:
Base-Base interactions energy: -77.499
where: short stacking energy: -45.004
Base-Backbone interact. energy: -0.099
local terms energy: -57.838690
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -10.510
flat angles P-C4'-P energy: -8.373
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: 4, replica: 2
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -89.679918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.679918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.679918 (E_RNA)
where:
Base-Base interactions energy: -41.838
where: short stacking energy: -41.838
Base-Backbone interact. energy: -0.014
local terms energy: -47.827853
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -12.115
flat angles C4'-P-C4' energy: -10.163
flat angles P-C4'-P energy: -1.756
tors. eta vs tors. theta energy: -13.241
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: 7
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -99.618718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.618718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.618718 (E_RNA)
where:
Base-Base interactions energy: -54.695
where: short stacking energy: -29.366
Base-Backbone interact. energy: -0.100
local terms energy: -44.823851
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -10.095
flat angles C4'-P-C4' energy: -8.449
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -4.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -94.875170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.875170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.875170 (E_RNA)
where:
Base-Base interactions energy: -49.455
where: short stacking energy: -30.942
Base-Backbone interact. energy: -0.017
local terms energy: -45.403607
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -11.169
flat angles P-C4'-P energy: -5.209
tors. eta vs tors. theta energy: -5.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -78.078741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.078741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.078741 (E_RNA)
where:
Base-Base interactions energy: -29.979
where: short stacking energy: -29.979
Base-Backbone interact. energy: -0.043
local terms energy: -48.055915
where:
bonds (distance) C4'-P energy: -10.536
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -9.874
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: -5.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -76.312939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.312939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.312939 (E_RNA)
where:
Base-Base interactions energy: -28.163
where: short stacking energy: -28.563
Base-Backbone interact. energy: -0.001
local terms energy: -48.148964
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -10.474
flat angles C4'-P-C4' energy: -10.977
flat angles P-C4'-P energy: -4.603
tors. eta vs tors. theta energy: -10.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -71.054158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.054158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.054158 (E_RNA)
where:
Base-Base interactions energy: -27.610
where: short stacking energy: -27.610
Base-Backbone interact. energy: -0.128
local terms energy: -43.315545
where:
bonds (distance) C4'-P energy: -10.387
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -10.510
flat angles P-C4'-P energy: -5.544
tors. eta vs tors. theta energy: -3.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -59.174255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.174255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.174255 (E_RNA)
where:
Base-Base interactions energy: -21.403
where: short stacking energy: -21.275
Base-Backbone interact. energy: -0.028
local terms energy: -37.742725
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -7.121
flat angles C4'-P-C4' energy: -8.445
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -0.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -121.662469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.662469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.662469 (E_RNA)
where:
Base-Base interactions energy: -64.625
where: short stacking energy: -38.186
Base-Backbone interact. energy: -0.318
local terms energy: -56.719376
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -9.707
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: 6
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -142.250355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.250355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.250355 (E_RNA)
where:
Base-Base interactions energy: -84.585
where: short stacking energy: -51.473
Base-Backbone interact. energy: -0.072
local terms energy: -57.594013
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -10.090
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -14.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -115.210533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.210533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.210533 (E_RNA)
where:
Base-Base interactions energy: -64.665
where: short stacking energy: -37.973
Base-Backbone interact. energy: -0.012
local terms energy: -50.533479
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -8.488
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -10.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -112.034639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.034639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.034639 (E_RNA)
where:
Base-Base interactions energy: -62.644
where: short stacking energy: -32.231
Base-Backbone interact. energy: -0.084
local terms energy: -49.306265
where:
bonds (distance) C4'-P energy: -12.391
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -9.761
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -6.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -95.581122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.581122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.581122 (E_RNA)
where:
Base-Base interactions energy: -41.714
where: short stacking energy: -41.714
Base-Backbone interact. energy: 0.007
local terms energy: -53.874737
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -5.397
tors. eta vs tors. theta energy: -9.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -71.553968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.553968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.553968 (E_RNA)
where:
Base-Base interactions energy: -25.505
where: short stacking energy: -23.752
Base-Backbone interact. energy: -0.281
local terms energy: -45.768330
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -11.162
flat angles P-C4'-P energy: -5.249
tors. eta vs tors. theta energy: -6.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -79.323657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.323657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.323657 (E_RNA)
where:
Base-Base interactions energy: -35.212
where: short stacking energy: -25.655
Base-Backbone interact. energy: -0.130
local terms energy: -43.981333
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -11.967
flat angles C4'-P-C4' energy: -10.637
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -2.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -75.145720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.145720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.145720 (E_RNA)
where:
Base-Base interactions energy: -24.268
where: short stacking energy: -24.268
Base-Backbone interact. energy: 1.033
local terms energy: -51.910910
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -10.891
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -8.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -66.175684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.175684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.175684 (E_RNA)
where:
Base-Base interactions energy: -26.846
where: short stacking energy: -26.846
Base-Backbone interact. energy: 1.701
local terms energy: -41.031183
where:
bonds (distance) C4'-P energy: -8.789
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -9.680
flat angles P-C4'-P energy: -5.368
tors. eta vs tors. theta energy: -4.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -60.537005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.537005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.537005 (E_RNA)
where:
Base-Base interactions energy: -21.295
where: short stacking energy: -21.795
Base-Backbone interact. energy: -0.002
local terms energy: -39.239811
where:
bonds (distance) C4'-P energy: -10.938
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -9.261
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -0.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -139.910836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.910836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.910836 (E_RNA)
where:
Base-Base interactions energy: -83.251
where: short stacking energy: -51.493
Base-Backbone interact. energy: -0.000
local terms energy: -56.659181
where:
bonds (distance) C4'-P energy: -9.240
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -12.078
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -13.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -134.570859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.570859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.570859 (E_RNA)
where:
Base-Base interactions energy: -74.228
where: short stacking energy: -45.621
Base-Backbone interact. energy: -0.435
local terms energy: -59.908544
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -13.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -115.000764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.000764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.000764 (E_RNA)
where:
Base-Base interactions energy: -63.573
where: short stacking energy: -38.364
Base-Backbone interact. energy: -0.013
local terms energy: -51.415004
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -12.089
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: -10.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -134.675759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.675759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.675759 (E_RNA)
where:
Base-Base interactions energy: -82.354
where: short stacking energy: -49.166
Base-Backbone interact. energy: -0.006
local terms energy: -52.315894
where:
bonds (distance) C4'-P energy: -6.728
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -10.948
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -13.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -74.454097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.454097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.454097 (E_RNA)
where:
Base-Base interactions energy: -30.681
where: short stacking energy: -30.681
Base-Backbone interact. energy: -0.117
local terms energy: -43.656252
where:
bonds (distance) C4'-P energy: -10.271
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -0.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -83.062440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.062440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.062440 (E_RNA)
where:
Base-Base interactions energy: -32.994
where: short stacking energy: -32.994
Base-Backbone interact. energy: -0.126
local terms energy: -49.942965
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -7.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -75.082024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.082024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.082024 (E_RNA)
where:
Base-Base interactions energy: -29.904
where: short stacking energy: -29.904
Base-Backbone interact. energy: -0.094
local terms energy: -45.084362
where:
bonds (distance) C4'-P energy: -9.153
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -9.386
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -4.920
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: 10
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -81.518101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.518101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.518101 (E_RNA)
where:
Base-Base interactions energy: -36.200
where: short stacking energy: -36.200
Base-Backbone interact. energy: -0.009
local terms energy: -45.309622
where:
bonds (distance) C4'-P energy: -6.132
bonds (distance) P-C4' energy: -11.246
flat angles C4'-P-C4' energy: -10.992
flat angles P-C4'-P energy: -6.901
tors. eta vs tors. theta energy: -10.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -67.813929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.813929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.813929 (E_RNA)
where:
Base-Base interactions energy: -22.363
where: short stacking energy: -19.065
Base-Backbone interact. energy: -0.444
local terms energy: -45.007812
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -13.699
flat angles C4'-P-C4' energy: -7.915
flat angles P-C4'-P energy: -6.706
tors. eta vs tors. theta energy: -4.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -56.716965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.716965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.716965 (E_RNA)
where:
Base-Base interactions energy: -23.785
where: short stacking energy: -23.785
Base-Backbone interact. energy: -0.019
local terms energy: -32.912678
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -6.553
flat angles C4'-P-C4' energy: -4.561
flat angles P-C4'-P energy: -6.096
tors. eta vs tors. theta energy: -3.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -133.499354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.499354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.499354 (E_RNA)
where:
Base-Base interactions energy: -77.904
where: short stacking energy: -41.281
Base-Backbone interact. energy: -0.138
local terms energy: -55.457732
where:
bonds (distance) C4'-P energy: -9.977
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -11.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -127.479986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.479986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.479986 (E_RNA)
where:
Base-Base interactions energy: -69.517
where: short stacking energy: -44.012
Base-Backbone interact. energy: 0.029
local terms energy: -57.992008
where:
bonds (distance) C4'-P energy: -12.092
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -10.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -120.750054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.750054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.750054 (E_RNA)
where:
Base-Base interactions energy: -70.489
where: short stacking energy: -40.765
Base-Backbone interact. energy: 0.746
local terms energy: -51.006997
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -8.506
flat angles P-C4'-P energy: -6.977
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: 4, replica: 7
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -113.776071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.776071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.776071 (E_RNA)
where:
Base-Base interactions energy: -67.636
where: short stacking energy: -40.582
Base-Backbone interact. energy: -0.111
local terms energy: -46.028501
where:
bonds (distance) C4'-P energy: -10.068
bonds (distance) P-C4' energy: -9.413
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -5.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -85.432630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.432630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.432630 (E_RNA)
where:
Base-Base interactions energy: -35.422
where: short stacking energy: -35.398
Base-Backbone interact. energy: -0.051
local terms energy: -49.959633
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -11.564
flat angles C4'-P-C4' energy: -9.140
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -8.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -84.453344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.453344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.453344 (E_RNA)
where:
Base-Base interactions energy: -31.328
where: short stacking energy: -31.328
Base-Backbone interact. energy: -0.000
local terms energy: -53.125201
where:
bonds (distance) C4'-P energy: -11.555
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -9.783
flat angles P-C4'-P energy: -6.725
tors. eta vs tors. theta energy: -10.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -73.844975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.844975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.844975 (E_RNA)
where:
Base-Base interactions energy: -31.603
where: short stacking energy: -31.603
Base-Backbone interact. energy: -0.084
local terms energy: -42.157898
where:
bonds (distance) C4'-P energy: -10.731
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -10.617
flat angles P-C4'-P energy: -2.484
tors. eta vs tors. theta energy: -5.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -69.106984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.106984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.106984 (E_RNA)
where:
Base-Base interactions energy: -26.907
where: short stacking energy: -26.907
Base-Backbone interact. energy: 1.161
local terms energy: -43.361032
where:
bonds (distance) C4'-P energy: -9.490
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -8.230
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -6.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -65.281547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.281547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.281547 (E_RNA)
where:
Base-Base interactions energy: -26.279
where: short stacking energy: -26.279
Base-Backbone interact. energy: -0.249
local terms energy: -38.754220
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -8.405
flat angles C4'-P-C4' energy: -9.955
flat angles P-C4'-P energy: -6.175
tors. eta vs tors. theta energy: -3.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -64.673303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.673303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.673303 (E_RNA)
where:
Base-Base interactions energy: -22.104
where: short stacking energy: -17.385
Base-Backbone interact. energy: -0.123
local terms energy: -42.446442
where:
bonds (distance) C4'-P energy: -9.974
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -8.168
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -2.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -143.336849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.336849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.336849 (E_RNA)
where:
Base-Base interactions energy: -87.802
where: short stacking energy: -52.477
Base-Backbone interact. energy: 2.069
local terms energy: -57.604242
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -10.505
flat angles P-C4'-P energy: -6.765
tors. eta vs tors. theta energy: -14.167
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: 8
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -129.889026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.889026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.889026 (E_RNA)
where:
Base-Base interactions energy: -81.363
where: short stacking energy: -43.676
Base-Backbone interact. energy: -0.066
local terms energy: -48.459704
where:
bonds (distance) C4'-P energy: -9.916
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -6.618
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -11.529
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: 7
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -129.578590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.578590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.578590 (E_RNA)
where:
Base-Base interactions energy: -71.679
where: short stacking energy: -45.291
Base-Backbone interact. energy: -0.017
local terms energy: -57.882735
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -10.129
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -14.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -128.870024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.870024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.870024 (E_RNA)
where:
Base-Base interactions energy: -71.493
where: short stacking energy: -46.270
Base-Backbone interact. energy: -0.037
local terms energy: -57.339572
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -11.091
flat angles P-C4'-P energy: -8.379
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: 5, replica: 3
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -83.040406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.040406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.040406 (E_RNA)
where:
Base-Base interactions energy: -39.168
where: short stacking energy: -39.168
Base-Backbone interact. energy: 1.283
local terms energy: -45.155583
where:
bonds (distance) C4'-P energy: -11.265
bonds (distance) P-C4' energy: -8.678
flat angles C4'-P-C4' energy: -10.406
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -6.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -87.048335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.048335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.048335 (E_RNA)
where:
Base-Base interactions energy: -38.009
where: short stacking energy: -38.009
Base-Backbone interact. energy: -0.001
local terms energy: -49.039055
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -10.745
flat angles C4'-P-C4' energy: -8.215
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -9.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -64.771384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.771384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.771384 (E_RNA)
where:
Base-Base interactions energy: -27.382
where: short stacking energy: -27.382
Base-Backbone interact. energy: -0.001
local terms energy: -37.388085
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -10.099
flat angles C4'-P-C4' energy: -8.918
flat angles P-C4'-P energy: -3.134
tors. eta vs tors. theta energy: -3.715
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: 186
Temperature: 1.250000
Total energy: -84.350128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.350128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.350128 (E_RNA)
where:
Base-Base interactions energy: -29.820
where: short stacking energy: -29.820
Base-Backbone interact. energy: -0.166
local terms energy: -54.364458
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -12.648
flat angles P-C4'-P energy: -4.741
tors. eta vs tors. theta energy: -8.980
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: 9, replica: 1
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -75.255431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.255431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.255431 (E_RNA)
where:
Base-Base interactions energy: -27.361
where: short stacking energy: -25.905
Base-Backbone interact. energy: -0.008
local terms energy: -47.885722
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -10.270
flat angles C4'-P-C4' energy: -11.854
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -4.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -84.174493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.174493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.174493 (E_RNA)
where:
Base-Base interactions energy: -35.304
where: short stacking energy: -35.304
Base-Backbone interact. energy: -0.031
local terms energy: -48.839537
where:
bonds (distance) C4'-P energy: -11.463
bonds (distance) P-C4' energy: -10.996
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -3.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -137.376857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.376857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.376857 (E_RNA)
where:
Base-Base interactions energy: -79.487
where: short stacking energy: -47.122
Base-Backbone interact. energy: -0.003
local terms energy: -57.886729
where:
bonds (distance) C4'-P energy: -9.932
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -13.868
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: 7
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -132.572812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.572812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.572812 (E_RNA)
where:
Base-Base interactions energy: -77.979
where: short stacking energy: -47.849
Base-Backbone interact. energy: -0.012
local terms energy: -54.581992
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -10.798
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -12.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -127.293552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.293552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.293552 (E_RNA)
where:
Base-Base interactions energy: -70.342
where: short stacking energy: -38.682
Base-Backbone interact. energy: -0.064
local terms energy: -56.887251
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -11.277
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -12.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -126.233021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.233021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.233021 (E_RNA)
where:
Base-Base interactions energy: -71.916
where: short stacking energy: -39.428
Base-Backbone interact. energy: -0.026
local terms energy: -54.291556
where:
bonds (distance) C4'-P energy: -11.906
bonds (distance) P-C4' energy: -10.955
flat angles C4'-P-C4' energy: -10.380
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: -14.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -101.894725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.894725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.894725 (E_RNA)
where:
Base-Base interactions energy: -47.071
where: short stacking energy: -47.071
Base-Backbone interact. energy: -0.001
local terms energy: -54.823180
where:
bonds (distance) C4'-P energy: -9.621
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -6.228
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: 6, replica: 4
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -85.881783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.881783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.881783 (E_RNA)
where:
Base-Base interactions energy: -38.205
where: short stacking energy: -38.205
Base-Backbone interact. energy: -0.002
local terms energy: -47.674177
where:
bonds (distance) C4'-P energy: -8.428
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -8.853
flat angles P-C4'-P energy: -6.589
tors. eta vs tors. theta energy: -10.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -67.816328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.816328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.816328 (E_RNA)
where:
Base-Base interactions energy: -22.091
where: short stacking energy: -22.091
Base-Backbone interact. energy: -0.060
local terms energy: -45.665859
where:
bonds (distance) C4'-P energy: -10.789
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -9.932
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -4.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -69.313417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.313417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.313417 (E_RNA)
where:
Base-Base interactions energy: -26.542
where: short stacking energy: -25.935
Base-Backbone interact. energy: -0.028
local terms energy: -42.743638
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -9.190
flat angles P-C4'-P energy: -5.335
tors. eta vs tors. theta energy: -4.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -70.176087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.176087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.176087 (E_RNA)
where:
Base-Base interactions energy: -25.580
where: short stacking energy: -25.580
Base-Backbone interact. energy: -0.081
local terms energy: -44.514962
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -8.680
flat angles P-C4'-P energy: -4.337
tors. eta vs tors. theta energy: -6.729
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: 10
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -67.148272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.148272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.148272 (E_RNA)
where:
Base-Base interactions energy: -32.950
where: short stacking energy: -21.720
Base-Backbone interact. energy: -0.022
local terms energy: -34.176285
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -10.035
flat angles C4'-P-C4' energy: -3.675
flat angles P-C4'-P energy: -5.366
tors. eta vs tors. theta energy: -3.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -136.673029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.673029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.673029 (E_RNA)
where:
Base-Base interactions energy: -83.075
where: short stacking energy: -45.842
Base-Backbone interact. energy: -0.104
local terms energy: -53.493875
where:
bonds (distance) C4'-P energy: -8.992
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: -11.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -143.160701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.160701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.160701 (E_RNA)
where:
Base-Base interactions energy: -83.853
where: short stacking energy: -51.440
Base-Backbone interact. energy: -0.001
local terms energy: -59.306391
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -6.608
tors. eta vs tors. theta energy: -14.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -129.075787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.075787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.075787 (E_RNA)
where:
Base-Base interactions energy: -75.557
where: short stacking energy: -42.588
Base-Backbone interact. energy: -0.056
local terms energy: -53.462910
where:
bonds (distance) C4'-P energy: -11.120
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -9.208
flat angles P-C4'-P energy: -4.044
tors. eta vs tors. theta energy: -15.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -111.759808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.759808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.759808 (E_RNA)
where:
Base-Base interactions energy: -61.007
where: short stacking energy: -34.517
Base-Backbone interact. energy: -0.025
local terms energy: -50.727672
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -11.762
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -8.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -81.668818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.668818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.668818 (E_RNA)
where:
Base-Base interactions energy: -31.471
where: short stacking energy: -31.471
Base-Backbone interact. energy: -0.000
local terms energy: -50.197221
where:
bonds (distance) C4'-P energy: -10.777
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -7.873
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -7.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -81.519145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.519145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.519145 (E_RNA)
where:
Base-Base interactions energy: -34.231
where: short stacking energy: -34.231
Base-Backbone interact. energy: -0.005
local terms energy: -47.283333
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -9.960
flat angles P-C4'-P energy: -6.531
tors. eta vs tors. theta energy: -5.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -73.644119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.644119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.644119 (E_RNA)
where:
Base-Base interactions energy: -26.643
where: short stacking energy: -26.638
Base-Backbone interact. energy: -0.048
local terms energy: -46.953685
where:
bonds (distance) C4'-P energy: -9.916
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -4.112
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -8.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -77.500594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.500594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.500594 (E_RNA)
where:
Base-Base interactions energy: -30.855
where: short stacking energy: -30.855
Base-Backbone interact. energy: 0.396
local terms energy: -47.042349
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -10.077
flat angles C4'-P-C4' energy: -10.165
flat angles P-C4'-P energy: -5.521
tors. eta vs tors. theta energy: -10.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -74.659985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.659985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.659985 (E_RNA)
where:
Base-Base interactions energy: -28.037
where: short stacking energy: -28.437
Base-Backbone interact. energy: -0.456
local terms energy: -46.166625
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -10.067
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -0.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -63.738176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.738176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.738176 (E_RNA)
where:
Base-Base interactions energy: -20.574
where: short stacking energy: -20.574
Base-Backbone interact. energy: -0.113
local terms energy: -43.051577
where:
bonds (distance) C4'-P energy: -7.568
bonds (distance) P-C4' energy: -11.007
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -2.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -135.540260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.540260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.540260 (E_RNA)
where:
Base-Base interactions energy: -79.241
where: short stacking energy: -45.319
Base-Backbone interact. energy: -0.003
local terms energy: -56.295860
where:
bonds (distance) C4'-P energy: -11.228
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -11.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -126.992853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.992853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.992853 (E_RNA)
where:
Base-Base interactions energy: -70.679
where: short stacking energy: -44.701
Base-Backbone interact. energy: -0.092
local terms energy: -56.221343
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -12.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -130.603928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.603928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.603928 (E_RNA)
where:
Base-Base interactions energy: -76.591
where: short stacking energy: -45.905
Base-Backbone interact. energy: -0.032
local terms energy: -53.981207
where:
bonds (distance) C4'-P energy: -8.681
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -10.961
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -12.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -117.504948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.504948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.504948 (E_RNA)
where:
Base-Base interactions energy: -62.930
where: short stacking energy: -36.563
Base-Backbone interact. energy: -0.026
local terms energy: -54.548228
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -9.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -82.260475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.260475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.260475 (E_RNA)
where:
Base-Base interactions energy: -35.445
where: short stacking energy: -35.445
Base-Backbone interact. energy: 0.419
local terms energy: -47.234192
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -8.037
flat angles C4'-P-C4' energy: -9.712
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -7.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -100.693392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.693392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.693392 (E_RNA)
where:
Base-Base interactions energy: -53.259
where: short stacking energy: -53.259
Base-Backbone interact. energy: -0.001
local terms energy: -47.433522
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -8.260
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -6.020
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: 3
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -74.383166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.383166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.383166 (E_RNA)
where:
Base-Base interactions energy: -28.844
where: short stacking energy: -26.825
Base-Backbone interact. energy: -0.104
local terms energy: -45.434767
where:
bonds (distance) C4'-P energy: -9.142
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -6.045
tors. eta vs tors. theta energy: -5.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -68.214369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.214369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.214369 (E_RNA)
where:
Base-Base interactions energy: -26.014
where: short stacking energy: -22.039
Base-Backbone interact. energy: -0.036
local terms energy: -42.164138
where:
bonds (distance) C4'-P energy: -9.222
bonds (distance) P-C4' energy: -13.185
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -6.018
tors. eta vs tors. theta energy: -0.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -59.010593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.010593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.010593 (E_RNA)
where:
Base-Base interactions energy: -20.871
where: short stacking energy: -20.871
Base-Backbone interact. energy: -0.030
local terms energy: -38.109610
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -8.528
flat angles C4'-P-C4' energy: -10.132
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: -2.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -64.369694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.369694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.369694 (E_RNA)
where:
Base-Base interactions energy: -29.428
where: short stacking energy: -24.468
Base-Backbone interact. energy: 0.121
local terms energy: -35.062341
where:
bonds (distance) C4'-P energy: -7.383
bonds (distance) P-C4' energy: -8.662
flat angles C4'-P-C4' energy: -9.613
flat angles P-C4'-P energy: -3.765
tors. eta vs tors. theta energy: -5.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -130.510512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.510512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.510512 (E_RNA)
where:
Base-Base interactions energy: -72.061
where: short stacking energy: -47.276
Base-Backbone interact. energy: -0.027
local terms energy: -58.422297
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -14.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -114.686630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.686630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.686630 (E_RNA)
where:
Base-Base interactions energy: -67.637
where: short stacking energy: -40.218
Base-Backbone interact. energy: 0.477
local terms energy: -47.526286
where:
bonds (distance) C4'-P energy: -11.791
bonds (distance) P-C4' energy: -10.326
flat angles C4'-P-C4' energy: -10.139
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -7.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -126.103847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.103847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.103847 (E_RNA)
where:
Base-Base interactions energy: -78.432
where: short stacking energy: -41.490
Base-Backbone interact. energy: -0.539
local terms energy: -47.133028
where:
bonds (distance) C4'-P energy: -7.621
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -7.704
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -9.271
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: 5
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -107.133759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.133759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.133759 (E_RNA)
where:
Base-Base interactions energy: -63.461
where: short stacking energy: -38.573
Base-Backbone interact. energy: 0.364
local terms energy: -44.037472
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -9.160
flat angles C4'-P-C4' energy: -10.566
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -5.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -73.909400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.909400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.909400 (E_RNA)
where:
Base-Base interactions energy: -32.367
where: short stacking energy: -32.367
Base-Backbone interact. energy: -0.469
local terms energy: -41.074103
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -6.712
flat angles C4'-P-C4' energy: -8.936
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -7.413
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: 6, replica: 4
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -74.283556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.283556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.283556 (E_RNA)
where:
Base-Base interactions energy: -28.096
where: short stacking energy: -28.096
Base-Backbone interact. energy: 0.344
local terms energy: -46.531488
where:
bonds (distance) C4'-P energy: -9.099
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -8.490
flat angles P-C4'-P energy: -9.736
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: 7, replica: 3
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -77.118041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.118041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.118041 (E_RNA)
where:
Base-Base interactions energy: -28.939
where: short stacking energy: -28.939
Base-Backbone interact. energy: -0.176
local terms energy: -48.002966
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -8.483
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -5.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -73.388211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.388211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.388211 (E_RNA)
where:
Base-Base interactions energy: -26.545
where: short stacking energy: -26.545
Base-Backbone interact. energy: -0.096
local terms energy: -46.747979
where:
bonds (distance) C4'-P energy: -11.364
bonds (distance) P-C4' energy: -10.663
flat angles C4'-P-C4' energy: -10.131
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -3.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -59.701987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.701987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.701987 (E_RNA)
where:
Base-Base interactions energy: -18.622
where: short stacking energy: -18.622
Base-Backbone interact. energy: -0.022
local terms energy: -41.058374
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -8.450
flat angles P-C4'-P energy: -4.596
tors. eta vs tors. theta energy: -3.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -67.452171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.452171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.452171 (E_RNA)
where:
Base-Base interactions energy: -23.093
where: short stacking energy: -20.328
Base-Backbone interact. energy: -0.165
local terms energy: -44.194088
where:
bonds (distance) C4'-P energy: -11.266
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -5.347
tors. eta vs tors. theta energy: -3.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -132.992297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.992297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.992297 (E_RNA)
where:
Base-Base interactions energy: -74.998
where: short stacking energy: -47.785
Base-Backbone interact. energy: 0.463
local terms energy: -58.456586
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -11.436
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: 2, replica: 6
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -131.581908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.581908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.581908 (E_RNA)
where:
Base-Base interactions energy: -81.357
where: short stacking energy: -45.618
Base-Backbone interact. energy: -0.102
local terms energy: -50.122334
where:
bonds (distance) C4'-P energy: -9.088
bonds (distance) P-C4' energy: -10.774
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -6.500
tors. eta vs tors. theta energy: -11.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -121.509956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.509956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.509956 (E_RNA)
where:
Base-Base interactions energy: -73.240
where: short stacking energy: -44.146
Base-Backbone interact. energy: -0.019
local terms energy: -48.251593
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -11.515
flat angles C4'-P-C4' energy: -9.345
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -6.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -119.143196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.143196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.143196 (E_RNA)
where:
Base-Base interactions energy: -67.579
where: short stacking energy: -42.190
Base-Backbone interact. energy: -0.190
local terms energy: -51.373969
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -9.982
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -5.408
tors. eta vs tors. theta energy: -11.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -80.126951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.126951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.126951 (E_RNA)
where:
Base-Base interactions energy: -31.969
where: short stacking energy: -26.884
Base-Backbone interact. energy: -0.051
local terms energy: -48.106651
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -8.559
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: 6, replica: 3
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -84.692307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.692307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.692307 (E_RNA)
where:
Base-Base interactions energy: -40.529
where: short stacking energy: -39.343
Base-Backbone interact. energy: 1.998
local terms energy: -46.161326
where:
bonds (distance) C4'-P energy: -8.194
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -5.097
tors. eta vs tors. theta energy: -8.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -70.483597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.483597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.483597 (E_RNA)
where:
Base-Base interactions energy: -28.088
where: short stacking energy: -28.088
Base-Backbone interact. energy: 1.168
local terms energy: -43.563832
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -10.565
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: -2.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -67.654279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.654279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.654279 (E_RNA)
where:
Base-Base interactions energy: -28.294
where: short stacking energy: -28.294
Base-Backbone interact. energy: -0.096
local terms energy: -39.263596
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -10.339
flat angles C4'-P-C4' energy: -11.298
flat angles P-C4'-P energy: -3.239
tors. eta vs tors. theta energy: -3.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -60.344992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.344992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.344992 (E_RNA)
where:
Base-Base interactions energy: -19.959
where: short stacking energy: -19.959
Base-Backbone interact. energy: -0.152
local terms energy: -40.234170
where:
bonds (distance) C4'-P energy: -10.305
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: 1.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -61.137092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.137092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.137092 (E_RNA)
where:
Base-Base interactions energy: -25.852
where: short stacking energy: -19.748
Base-Backbone interact. energy: -0.083
local terms energy: -35.201714
where:
bonds (distance) C4'-P energy: -8.714
bonds (distance) P-C4' energy: -10.060
flat angles C4'-P-C4' energy: -8.298
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -0.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -132.242264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.242264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.242264 (E_RNA)
where:
Base-Base interactions energy: -78.029
where: short stacking energy: -44.934
Base-Backbone interact. energy: -0.116
local terms energy: -54.096776
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -4.754
tors. eta vs tors. theta energy: -10.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -134.179456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.179456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.179456 (E_RNA)
where:
Base-Base interactions energy: -76.337
where: short stacking energy: -42.332
Base-Backbone interact. energy: -0.097
local terms energy: -57.745073
where:
bonds (distance) C4'-P energy: -9.998
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -8.158
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: 3, replica: 5
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -122.389679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.389679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.389679 (E_RNA)
where:
Base-Base interactions energy: -74.554
where: short stacking energy: -46.776
Base-Backbone interact. energy: -0.326
local terms energy: -47.509399
where:
bonds (distance) C4'-P energy: -11.364
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -7.643
flat angles P-C4'-P energy: -5.616
tors. eta vs tors. theta energy: -11.756
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: 8
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -120.985260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.985260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.985260 (E_RNA)
where:
Base-Base interactions energy: -73.702
where: short stacking energy: -40.653
Base-Backbone interact. energy: -0.071
local terms energy: -47.213218
where:
bonds (distance) C4'-P energy: -8.728
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -10.728
flat angles P-C4'-P energy: -4.725
tors. eta vs tors. theta energy: -11.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -90.576097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.576097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.576097 (E_RNA)
where:
Base-Base interactions energy: -43.200
where: short stacking energy: -43.200
Base-Backbone interact. energy: -0.123
local terms energy: -47.252272
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -4.850
tors. eta vs tors. theta energy: -7.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -72.860815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.860815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.860815 (E_RNA)
where:
Base-Base interactions energy: -25.526
where: short stacking energy: -25.526
Base-Backbone interact. energy: -0.002
local terms energy: -47.333472
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -10.939
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -7.102
tors. eta vs tors. theta energy: -4.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -70.718663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.718663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.718663 (E_RNA)
where:
Base-Base interactions energy: -27.878
where: short stacking energy: -27.878
Base-Backbone interact. energy: -0.104
local terms energy: -42.736343
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -10.919
flat angles P-C4'-P energy: -2.446
tors. eta vs tors. theta energy: -4.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -76.011206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.011206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.011206 (E_RNA)
where:
Base-Base interactions energy: -40.172
where: short stacking energy: -32.632
Base-Backbone interact. energy: -0.239
local terms energy: -35.599979
where:
bonds (distance) C4'-P energy: -9.455
bonds (distance) P-C4' energy: -8.299
flat angles C4'-P-C4' energy: -5.867
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -2.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -66.344250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.344250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.344250 (E_RNA)
where:
Base-Base interactions energy: -29.966
where: short stacking energy: -25.961
Base-Backbone interact. energy: -0.006
local terms energy: -36.372170
where:
bonds (distance) C4'-P energy: -7.796
bonds (distance) P-C4' energy: -10.684
flat angles C4'-P-C4' energy: -6.953
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -3.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -65.594418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.594418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.594418 (E_RNA)
where:
Base-Base interactions energy: -27.779
where: short stacking energy: -27.779
Base-Backbone interact. energy: -0.013
local terms energy: -37.802167
where:
bonds (distance) C4'-P energy: -5.671
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -6.539
flat angles P-C4'-P energy: -6.077
tors. eta vs tors. theta energy: -6.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -143.019002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.019002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.019002 (E_RNA)
where:
Base-Base interactions energy: -83.030
where: short stacking energy: -54.036
Base-Backbone interact. energy: 0.401
local terms energy: -60.390626
where:
bonds (distance) C4'-P energy: -10.288
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -14.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -127.819871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.819871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.819871 (E_RNA)
where:
Base-Base interactions energy: -76.738
where: short stacking energy: -46.082
Base-Backbone interact. energy: -0.035
local terms energy: -51.047016
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -6.494
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -11.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -121.919658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.919658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.919658 (E_RNA)
where:
Base-Base interactions energy: -69.372
where: short stacking energy: -37.156
Base-Backbone interact. energy: -0.204
local terms energy: -52.343702
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -10.893
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -8.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -118.670563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.670563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.670563 (E_RNA)
where:
Base-Base interactions energy: -67.767
where: short stacking energy: -36.469
Base-Backbone interact. energy: -0.093
local terms energy: -50.810835
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -11.404
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -7.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -79.449603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.449603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.449603 (E_RNA)
where:
Base-Base interactions energy: -36.573
where: short stacking energy: -31.979
Base-Backbone interact. energy: -0.227
local terms energy: -42.649702
where:
bonds (distance) C4'-P energy: -5.156
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -11.179
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -6.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -72.225291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.225291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.225291 (E_RNA)
where:
Base-Base interactions energy: -26.356
where: short stacking energy: -26.356
Base-Backbone interact. energy: -0.030
local terms energy: -45.838734
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -9.271
flat angles C4'-P-C4' energy: -9.731
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -6.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -70.171362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.171362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.171362 (E_RNA)
where:
Base-Base interactions energy: -34.611
where: short stacking energy: -34.611
Base-Backbone interact. energy: -0.007
local terms energy: -35.553354
where:
bonds (distance) C4'-P energy: -8.884
bonds (distance) P-C4' energy: -9.706
flat angles C4'-P-C4' energy: -4.558
flat angles P-C4'-P energy: -4.356
tors. eta vs tors. theta energy: -8.048
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: 2
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -72.310509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.310509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.310509 (E_RNA)
where:
Base-Base interactions energy: -31.893
where: short stacking energy: -23.976
Base-Backbone interact. energy: -0.068
local terms energy: -40.349056
where:
bonds (distance) C4'-P energy: -9.887
bonds (distance) P-C4' energy: -9.327
flat angles C4'-P-C4' energy: -11.547
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -3.589
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: 4
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -72.327781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.327781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.327781 (E_RNA)
where:
Base-Base interactions energy: -28.788
where: short stacking energy: -29.588
Base-Backbone interact. energy: -0.008
local terms energy: -43.531695
where:
bonds (distance) C4'-P energy: -9.393
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -5.762
tors. eta vs tors. theta energy: -3.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -64.775898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.775898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.775898 (E_RNA)
where:
Base-Base interactions energy: -27.315
where: short stacking energy: -27.315
Base-Backbone interact. energy: -0.261
local terms energy: -37.199854
where:
bonds (distance) C4'-P energy: -11.125
bonds (distance) P-C4' energy: -9.550
flat angles C4'-P-C4' energy: -6.921
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -1.863
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: 1, replica: 5
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -141.982958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.982958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.982958 (E_RNA)
where:
Base-Base interactions energy: -82.939
where: short stacking energy: -52.262
Base-Backbone interact. energy: -0.013
local terms energy: -59.030519
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -4.012
tors. eta vs tors. theta energy: -16.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -129.697254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.697254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.697254 (E_RNA)
where:
Base-Base interactions energy: -78.469
where: short stacking energy: -43.533
Base-Backbone interact. energy: -0.052
local terms energy: -51.176336
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -9.201
flat angles C4'-P-C4' energy: -10.991
flat angles P-C4'-P energy: -5.708
tors. eta vs tors. theta energy: -11.970
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: 194
Temperature: 1.000000
Total energy: -118.309566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.309566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.309566 (E_RNA)
where:
Base-Base interactions energy: -73.804
where: short stacking energy: -31.724
Base-Backbone interact. energy: -0.295
local terms energy: -44.210558
where:
bonds (distance) C4'-P energy: -10.188
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -7.526
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -4.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -114.504304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.504304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.504304 (E_RNA)
where:
Base-Base interactions energy: -67.439
where: short stacking energy: -34.633
Base-Backbone interact. energy: -0.034
local terms energy: -47.030841
where:
bonds (distance) C4'-P energy: -10.760
bonds (distance) P-C4' energy: -9.569
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -4.664
tors. eta vs tors. theta energy: -9.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -89.534664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.534664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.534664 (E_RNA)
where:
Base-Base interactions energy: -37.496
where: short stacking energy: -23.599
Base-Backbone interact. energy: -0.062
local terms energy: -51.977368
where:
bonds (distance) C4'-P energy: -12.532
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -4.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -78.817211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.817211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.817211 (E_RNA)
where:
Base-Base interactions energy: -41.289
where: short stacking energy: -20.163
Base-Backbone interact. energy: -0.298
local terms energy: -37.229488
where:
bonds (distance) C4'-P energy: -9.123
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -5.117
tors. eta vs tors. theta energy: 1.805
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: 194
Temperature: 1.200000
Total energy: -78.445976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.445976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.445976 (E_RNA)
where:
Base-Base interactions energy: -36.072
where: short stacking energy: -36.072
Base-Backbone interact. energy: -0.003
local terms energy: -42.371401
where:
bonds (distance) C4'-P energy: -9.725
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -8.609
flat angles P-C4'-P energy: -3.691
tors. eta vs tors. theta energy: -9.269
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: 1
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -72.233636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.233636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.233636 (E_RNA)
where:
Base-Base interactions energy: -29.412
where: short stacking energy: -21.482
Base-Backbone interact. energy: -0.086
local terms energy: -42.736271
where:
bonds (distance) C4'-P energy: -9.391
bonds (distance) P-C4' energy: -8.691
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -7.076
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: 9, replica: 4
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -67.102738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.102738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.102738 (E_RNA)
where:
Base-Base interactions energy: -23.571
where: short stacking energy: -23.571
Base-Backbone interact. energy: -0.178
local terms energy: -43.353280
where:
bonds (distance) C4'-P energy: -8.935
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -7.963
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -6.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -58.334391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.334391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.334391 (E_RNA)
where:
Base-Base interactions energy: -24.245
where: short stacking energy: -24.245
Base-Backbone interact. energy: -0.233
local terms energy: -33.857099
where:
bonds (distance) C4'-P energy: -7.845
bonds (distance) P-C4' energy: -8.126
flat angles C4'-P-C4' energy: -6.893
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -3.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -143.003358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.003358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.003358 (E_RNA)
where:
Base-Base interactions energy: -84.018
where: short stacking energy: -48.787
Base-Backbone interact. energy: -0.001
local terms energy: -58.984676
where:
bonds (distance) C4'-P energy: -9.713
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -11.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -136.402242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.402242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.402242 (E_RNA)
where:
Base-Base interactions energy: -76.277
where: short stacking energy: -45.232
Base-Backbone interact. energy: -0.029
local terms energy: -60.096840
where:
bonds (distance) C4'-P energy: -10.652
bonds (distance) P-C4' energy: -10.369
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -14.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -129.948829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.948829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.948829 (E_RNA)
where:
Base-Base interactions energy: -73.639
where: short stacking energy: -43.580
Base-Backbone interact. energy: -0.262
local terms energy: -56.047785
where:
bonds (distance) C4'-P energy: -9.970
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -7.047
tors. eta vs tors. theta energy: -13.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -126.406857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.406857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.406857 (E_RNA)
where:
Base-Base interactions energy: -69.283
where: short stacking energy: -35.129
Base-Backbone interact. energy: -0.101
local terms energy: -57.022584
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -10.640
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -10.473
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: 5, replica: 3
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -82.037128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.037128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.037128 (E_RNA)
where:
Base-Base interactions energy: -35.105
where: short stacking energy: -35.105
Base-Backbone interact. energy: -0.012
local terms energy: -46.919974
where:
bonds (distance) C4'-P energy: -8.193
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -10.810
flat angles P-C4'-P energy: -5.335
tors. eta vs tors. theta energy: -9.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -82.367893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.367893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.367893 (E_RNA)
where:
Base-Base interactions energy: -33.002
where: short stacking energy: -33.002
Base-Backbone interact. energy: -0.071
local terms energy: -49.295687
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -8.533
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -6.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -76.290219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.290219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.290219 (E_RNA)
where:
Base-Base interactions energy: -31.002
where: short stacking energy: -31.002
Base-Backbone interact. energy: -0.003
local terms energy: -45.285144
where:
bonds (distance) C4'-P energy: -10.403
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -5.045
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -9.615
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: 4
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -73.201385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.201385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.201385 (E_RNA)
where:
Base-Base interactions energy: -27.695
where: short stacking energy: -22.492
Base-Backbone interact. energy: 0.353
local terms energy: -45.859914
where:
bonds (distance) C4'-P energy: -9.753
bonds (distance) P-C4' energy: -10.967
flat angles C4'-P-C4' energy: -12.725
flat angles P-C4'-P energy: -5.976
tors. eta vs tors. theta energy: -6.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -65.226690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.226690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.226690 (E_RNA)
where:
Base-Base interactions energy: -21.086
where: short stacking energy: -21.086
Base-Backbone interact. energy: -0.049
local terms energy: -44.091549
where:
bonds (distance) C4'-P energy: -8.917
bonds (distance) P-C4' energy: -12.252
flat angles C4'-P-C4' energy: -10.278
flat angles P-C4'-P energy: -6.597
tors. eta vs tors. theta energy: -6.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -66.989672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.989672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.989672 (E_RNA)
where:
Base-Base interactions energy: -35.079
where: short stacking energy: -25.766
Base-Backbone interact. energy: 1.547
local terms energy: -33.458259
where:
bonds (distance) C4'-P energy: -5.597
bonds (distance) P-C4' energy: -9.457
flat angles C4'-P-C4' energy: -7.258
flat angles P-C4'-P energy: -5.074
tors. eta vs tors. theta energy: -6.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -138.872662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.872662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.872662 (E_RNA)
where:
Base-Base interactions energy: -78.656
where: short stacking energy: -48.975
Base-Backbone interact. energy: 0.924
local terms energy: -61.140437
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -10.943
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: 2, replica: 5
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -142.762122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.762122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.762122 (E_RNA)
where:
Base-Base interactions energy: -83.528
where: short stacking energy: -53.443
Base-Backbone interact. energy: 0.044
local terms energy: -59.277687
where:
bonds (distance) C4'-P energy: -8.851
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -10.550
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -16.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -110.799778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.799778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.799778 (E_RNA)
where:
Base-Base interactions energy: -59.271
where: short stacking energy: -32.753
Base-Backbone interact. energy: -0.034
local terms energy: -51.495182
where:
bonds (distance) C4'-P energy: -11.397
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -5.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -120.929449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.929449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.929449 (E_RNA)
where:
Base-Base interactions energy: -64.771
where: short stacking energy: -39.638
Base-Backbone interact. energy: -0.237
local terms energy: -55.921447
where:
bonds (distance) C4'-P energy: -10.529
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -12.019
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -8.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -111.469345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.469345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.469345 (E_RNA)
where:
Base-Base interactions energy: -60.451
where: short stacking energy: -32.956
Base-Backbone interact. energy: -0.016
local terms energy: -51.002619
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -10.374
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -6.396
tors. eta vs tors. theta energy: -9.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -71.550993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.550993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.550993 (E_RNA)
where:
Base-Base interactions energy: -28.953
where: short stacking energy: -26.875
Base-Backbone interact. energy: -0.166
local terms energy: -42.432277
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -10.103
flat angles C4'-P-C4' energy: -9.888
flat angles P-C4'-P energy: -3.927
tors. eta vs tors. theta energy: -7.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -83.226194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.226194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.226194 (E_RNA)
where:
Base-Base interactions energy: -33.815
where: short stacking energy: -33.802
Base-Backbone interact. energy: -0.418
local terms energy: -48.993304
where:
bonds (distance) C4'-P energy: -9.621
bonds (distance) P-C4' energy: -12.246
flat angles C4'-P-C4' energy: -8.432
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -9.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -71.366852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.366852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.366852 (E_RNA)
where:
Base-Base interactions energy: -34.217
where: short stacking energy: -22.441
Base-Backbone interact. energy: -0.216
local terms energy: -36.933349
where:
bonds (distance) C4'-P energy: -10.064
bonds (distance) P-C4' energy: -10.231
flat angles C4'-P-C4' energy: -9.468
flat angles P-C4'-P energy: -2.031
tors. eta vs tors. theta energy: -5.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -63.630600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.630600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.630600 (E_RNA)
where:
Base-Base interactions energy: -21.496
where: short stacking energy: -21.496
Base-Backbone interact. energy: -0.130
local terms energy: -42.004246
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -8.492
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -2.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -61.767598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.767598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.767598 (E_RNA)
where:
Base-Base interactions energy: -19.827
where: short stacking energy: -19.827
Base-Backbone interact. energy: 1.821
local terms energy: -43.761948
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -10.321
flat angles C4'-P-C4' energy: -7.443
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -5.292
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: 6
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -142.094843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.094843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.094843 (E_RNA)
where:
Base-Base interactions energy: -88.348
where: short stacking energy: -52.796
Base-Backbone interact. energy: -0.085
local terms energy: -53.662002
where:
bonds (distance) C4'-P energy: -10.900
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -9.566
flat angles P-C4'-P energy: -6.222
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: 2, replica: 7
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -115.333054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.333054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.333054 (E_RNA)
where:
Base-Base interactions energy: -61.363
where: short stacking energy: -36.716
Base-Backbone interact. energy: -0.060
local terms energy: -53.910119
where:
bonds (distance) C4'-P energy: -10.760
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -10.851
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -8.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -131.410958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.410958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.410958 (E_RNA)
where:
Base-Base interactions energy: -76.852
where: short stacking energy: -50.044
Base-Backbone interact. energy: -0.059
local terms energy: -54.500285
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -11.775
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -11.030
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: 197
Temperature: 1.050000
Total energy: -131.856619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.856619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.856619 (E_RNA)
where:
Base-Base interactions energy: -80.631
where: short stacking energy: -44.632
Base-Backbone interact. energy: -0.068
local terms energy: -51.157472
where:
bonds (distance) C4'-P energy: -7.842
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -10.612
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -13.083
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: 3
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -111.629488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.629488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.629488 (E_RNA)
where:
Base-Base interactions energy: -66.828
where: short stacking energy: -40.990
Base-Backbone interact. energy: -0.324
local terms energy: -44.478067
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -12.072
flat angles C4'-P-C4' energy: -11.517
flat angles P-C4'-P energy: -2.479
tors. eta vs tors. theta energy: -7.659
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: 197
Temperature: 1.150000
Total energy: -79.792292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.792292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.792292 (E_RNA)
where:
Base-Base interactions energy: -37.837
where: short stacking energy: -37.837
Base-Backbone interact. energy: -0.006
local terms energy: -41.949604
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -10.081
flat angles C4'-P-C4' energy: -10.796
flat angles P-C4'-P energy: -4.689
tors. eta vs tors. theta energy: -5.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -75.177422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.177422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.177422 (E_RNA)
where:
Base-Base interactions energy: -31.842
where: short stacking energy: -31.842
Base-Backbone interact. energy: -0.167
local terms energy: -43.168164
where:
bonds (distance) C4'-P energy: -11.070
bonds (distance) P-C4' energy: -8.611
flat angles C4'-P-C4' energy: -8.388
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -6.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -70.030795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.030795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.030795 (E_RNA)
where:
Base-Base interactions energy: -31.949
where: short stacking energy: -22.396
Base-Backbone interact. energy: -0.098
local terms energy: -37.983982
where:
bonds (distance) C4'-P energy: -9.623
bonds (distance) P-C4' energy: -6.633
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -6.075
tors. eta vs tors. theta energy: -4.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -63.320603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.320603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.320603 (E_RNA)
where:
Base-Base interactions energy: -21.858
where: short stacking energy: -21.858
Base-Backbone interact. energy: 0.009
local terms energy: -41.471339
where:
bonds (distance) C4'-P energy: -12.412
bonds (distance) P-C4' energy: -8.843
flat angles C4'-P-C4' energy: -6.614
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -3.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -62.625725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.625725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.625725 (E_RNA)
where:
Base-Base interactions energy: -24.603
where: short stacking energy: -24.603
Base-Backbone interact. energy: -0.948
local terms energy: -37.075337
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -9.619
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -2.819
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: 1, replica: 7
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -127.593882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.593882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.593882 (E_RNA)
where:
Base-Base interactions energy: -70.958
where: short stacking energy: -46.000
Base-Backbone interact. energy: -0.067
local terms energy: -56.568878
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -12.112
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -10.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -130.655489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.655489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.655489 (E_RNA)
where:
Base-Base interactions energy: -77.256
where: short stacking energy: -48.363
Base-Backbone interact. energy: -0.006
local terms energy: -53.393659
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -10.299
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: -11.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -131.529559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.529559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.529559 (E_RNA)
where:
Base-Base interactions energy: -80.275
where: short stacking energy: -50.876
Base-Backbone interact. energy: 0.111
local terms energy: -51.365580
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -9.606
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -4.981
tors. eta vs tors. theta energy: -12.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -113.111817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.111817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.111817 (E_RNA)
where:
Base-Base interactions energy: -61.956
where: short stacking energy: -35.723
Base-Backbone interact. energy: -0.137
local terms energy: -51.018497
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -8.691
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -7.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -104.039998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.039998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.039998 (E_RNA)
where:
Base-Base interactions energy: -53.911
where: short stacking energy: -29.328
Base-Backbone interact. energy: -0.274
local terms energy: -49.855466
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: -5.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -66.244249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.244249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.244249 (E_RNA)
where:
Base-Base interactions energy: -22.614
where: short stacking energy: -22.614
Base-Backbone interact. energy: -0.094
local terms energy: -43.535698
where:
bonds (distance) C4'-P energy: -9.738
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -5.674
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -4.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -69.783090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.783090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.783090 (E_RNA)
where:
Base-Base interactions energy: -25.386
where: short stacking energy: -23.768
Base-Backbone interact. energy: -0.044
local terms energy: -44.352759
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -9.640
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -2.956
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: 2
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -71.555595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.555595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.555595 (E_RNA)
where:
Base-Base interactions energy: -30.365
where: short stacking energy: -30.180
Base-Backbone interact. energy: -0.069
local terms energy: -41.121509
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -4.726
flat angles P-C4'-P energy: -5.847
tors. eta vs tors. theta energy: -4.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -70.199204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.199204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.199204 (E_RNA)
where:
Base-Base interactions energy: -29.756
where: short stacking energy: -27.835
Base-Backbone interact. energy: -0.102
local terms energy: -40.340715
where:
bonds (distance) C4'-P energy: -10.071
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -5.516
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: -3.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -73.022282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.022282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.022282 (E_RNA)
where:
Base-Base interactions energy: -28.363
where: short stacking energy: -28.363
Base-Backbone interact. energy: -0.000
local terms energy: -44.659077
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -8.087
flat angles C4'-P-C4' energy: -8.396
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -8.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -131.654670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.654670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.654670 (E_RNA)
where:
Base-Base interactions energy: -76.595
where: short stacking energy: -44.187
Base-Backbone interact. energy: -0.018
local terms energy: -55.042186
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -7.926
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -11.965
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: 199
Temperature: 0.950000
Total energy: -128.744445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.744445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.744445 (E_RNA)
where:
Base-Base interactions energy: -73.224
where: short stacking energy: -47.527
Base-Backbone interact. energy: -0.002
local terms energy: -55.518068
where:
bonds (distance) C4'-P energy: -11.133
bonds (distance) P-C4' energy: -9.471
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -13.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -124.994036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.994036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.994036 (E_RNA)
where:
Base-Base interactions energy: -68.544
where: short stacking energy: -40.502
Base-Backbone interact. energy: -0.018
local terms energy: -56.431641
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -9.819
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: -13.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -105.800821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.800821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.800821 (E_RNA)
where:
Base-Base interactions energy: -53.391
where: short stacking energy: -26.355
Base-Backbone interact. energy: -0.210
local terms energy: -52.198873
where:
bonds (distance) C4'-P energy: -11.037
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -6.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -85.562584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.562584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.562584 (E_RNA)
where:
Base-Base interactions energy: -39.113
where: short stacking energy: -31.472
Base-Backbone interact. energy: -0.013
local terms energy: -46.436420
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -7.942
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -5.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -87.767081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.767081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.767081 (E_RNA)
where:
Base-Base interactions energy: -34.172
where: short stacking energy: -34.172
Base-Backbone interact. energy: -0.000
local terms energy: -53.594749
where:
bonds (distance) C4'-P energy: -12.652
bonds (distance) P-C4' energy: -11.346
flat angles C4'-P-C4' energy: -10.963
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -9.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -68.738893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.738893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.738893 (E_RNA)
where:
Base-Base interactions energy: -25.372
where: short stacking energy: -23.208
Base-Backbone interact. energy: -0.005
local terms energy: -43.362604
where:
bonds (distance) C4'-P energy: -10.242
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -4.792
tors. eta vs tors. theta energy: -4.080
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: 8, replica: 2
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -68.842496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.842496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.842496 (E_RNA)
where:
Base-Base interactions energy: -22.052
where: short stacking energy: -22.052
Base-Backbone interact. energy: 0.605
local terms energy: -47.395432
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -10.919
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -3.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -70.587107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.587107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.587107 (E_RNA)
where:
Base-Base interactions energy: -28.085
where: short stacking energy: -28.085
Base-Backbone interact. energy: -0.071
local terms energy: -42.430905
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -10.861
flat angles C4'-P-C4' energy: -5.645
flat angles P-C4'-P energy: -5.942
tors. eta vs tors. theta energy: -8.694
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: 10, replica: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -65.842318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.842318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.842318 (E_RNA)
where:
Base-Base interactions energy: -28.341
where: short stacking energy: -22.999
Base-Backbone interact. energy: 0.523
local terms energy: -38.024451
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -8.852
flat angles C4'-P-C4' energy: -11.861
flat angles P-C4'-P energy: -6.000
tors. eta vs tors. theta energy: 0.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -144.265153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.265153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.265153 (E_RNA)
where:
Base-Base interactions energy: -87.393
where: short stacking energy: -50.922
Base-Backbone interact. energy: -0.001
local terms energy: -56.870393
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -10.138
flat angles P-C4'-P energy: -6.158
tors. eta vs tors. theta energy: -16.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -141.162210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.162210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.162210 (E_RNA)
where:
Base-Base interactions energy: -85.971
where: short stacking energy: -53.778
Base-Backbone interact. energy: -0.037
local terms energy: -55.154376
where:
bonds (distance) C4'-P energy: -8.536
bonds (distance) P-C4' energy: -12.904
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -12.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -125.468044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.468044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.468044 (E_RNA)
where:
Base-Base interactions energy: -71.235
where: short stacking energy: -36.826
Base-Backbone interact. energy: -0.001
local terms energy: -54.232022
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -10.398
flat angles C4'-P-C4' energy: -10.322
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -12.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -117.559263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.559263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.559263 (E_RNA)
where:
Base-Base interactions energy: -67.613
where: short stacking energy: -33.135
Base-Backbone interact. energy: -0.085
local terms energy: -49.860961
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -9.070
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -8.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -80.562762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.562762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.562762 (E_RNA)
where:
Base-Base interactions energy: -31.775
where: short stacking energy: -31.775
Base-Backbone interact. energy: -0.131
local terms energy: -48.656775
where:
bonds (distance) C4'-P energy: -10.474
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -10.627
flat angles P-C4'-P energy: -6.200
tors. eta vs tors. theta energy: -7.199
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: 6, replica: 3
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -87.588874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.588874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.588874 (E_RNA)
where:
Base-Base interactions energy: -35.938
where: short stacking energy: -35.104
Base-Backbone interact. energy: -0.024
local terms energy: -51.627172
where:
bonds (distance) C4'-P energy: -11.476
bonds (distance) P-C4' energy: -13.386
flat angles C4'-P-C4' energy: -9.676
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -9.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -88.519963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.519963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.519963 (E_RNA)
where:
Base-Base interactions energy: -45.729
where: short stacking energy: -45.729
Base-Backbone interact. energy: 2.451
local terms energy: -45.242613
where:
bonds (distance) C4'-P energy: -10.015
bonds (distance) P-C4' energy: -3.995
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -5.459
tors. eta vs tors. theta energy: -12.328
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: 8, replica: 4
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -69.109449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.109449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.109449 (E_RNA)
where:
Base-Base interactions energy: -27.833
where: short stacking energy: -27.833
Base-Backbone interact. energy: 0.075
local terms energy: -41.351746
where:
bonds (distance) C4'-P energy: -7.601
bonds (distance) P-C4' energy: -10.003
flat angles C4'-P-C4' energy: -8.837
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -6.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -68.575415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.575415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.575415 (E_RNA)
where:
Base-Base interactions energy: -29.396
where: short stacking energy: -22.481
Base-Backbone interact. energy: 0.249
local terms energy: -39.429064
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -11.242
flat angles C4'-P-C4' energy: -8.734
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: 0.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -57.047285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.047285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.047285 (E_RNA)
where:
Base-Base interactions energy: -18.153
where: short stacking energy: -18.153
Base-Backbone interact. energy: -0.082
local terms energy: -38.812011
where:
bonds (distance) C4'-P energy: -9.240
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -9.260
flat angles P-C4'-P energy: -5.767
tors. eta vs tors. theta energy: -0.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -131.700564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.700564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.700564 (E_RNA)
where:
Base-Base interactions energy: -75.205
where: short stacking energy: -46.631
Base-Backbone interact. energy: -0.008
local terms energy: -56.487230
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -11.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -128.566752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.566752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.566752 (E_RNA)
where:
Base-Base interactions energy: -70.923
where: short stacking energy: -38.983
Base-Backbone interact. energy: -0.355
local terms energy: -57.289040
where:
bonds (distance) C4'-P energy: -11.745
bonds (distance) P-C4' energy: -12.220
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -9.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -128.435237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.435237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.435237 (E_RNA)
where:
Base-Base interactions energy: -71.977
where: short stacking energy: -41.720
Base-Backbone interact. energy: -0.004
local terms energy: -56.455068
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -10.142
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -13.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -121.061548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.061548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.061548 (E_RNA)
where:
Base-Base interactions energy: -66.817
where: short stacking energy: -35.862
Base-Backbone interact. energy: -0.003
local terms energy: -54.241228
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -9.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -82.123831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.123831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.123831 (E_RNA)
where:
Base-Base interactions energy: -31.960
where: short stacking energy: -31.105
Base-Backbone interact. energy: -0.189
local terms energy: -49.974671
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -5.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -80.078054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.078054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.078054 (E_RNA)
where:
Base-Base interactions energy: -26.548
where: short stacking energy: -26.319
Base-Backbone interact. energy: -0.102
local terms energy: -53.427889
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -13.368
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -6.800
tors. eta vs tors. theta energy: -7.413
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: 3
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -77.908308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.908308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.908308 (E_RNA)
where:
Base-Base interactions energy: -37.525
where: short stacking energy: -24.329
Base-Backbone interact. energy: -0.003
local terms energy: -40.380522
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -0.306
tors. eta vs tors. theta energy: -2.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -71.493681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.493681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.493681 (E_RNA)
where:
Base-Base interactions energy: -29.855
where: short stacking energy: -29.855
Base-Backbone interact. energy: 1.031
local terms energy: -42.669619
where:
bonds (distance) C4'-P energy: -8.760
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -3.585
tors. eta vs tors. theta energy: -7.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -66.687068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.687068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.687068 (E_RNA)
where:
Base-Base interactions energy: -24.902
where: short stacking energy: -24.902
Base-Backbone interact. energy: 0.092
local terms energy: -41.876492
where:
bonds (distance) C4'-P energy: -8.168
bonds (distance) P-C4' energy: -7.755
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -6.355
tors. eta vs tors. theta energy: -6.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -64.815317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.815317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.815317 (E_RNA)
where:
Base-Base interactions energy: -22.677
where: short stacking energy: -22.677
Base-Backbone interact. energy: 0.865
local terms energy: -43.003885
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -6.946
flat angles C4'-P-C4' energy: -9.130
flat angles P-C4'-P energy: -7.212
tors. eta vs tors. theta energy: -6.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -138.335735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.335735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.335735 (E_RNA)
where:
Base-Base interactions energy: -83.990
where: short stacking energy: -44.606
Base-Backbone interact. energy: -0.006
local terms energy: -54.340199
where:
bonds (distance) C4'-P energy: -10.163
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -12.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -130.608241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.608241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.608241 (E_RNA)
where:
Base-Base interactions energy: -76.554
where: short stacking energy: -51.346
Base-Backbone interact. energy: -0.032
local terms energy: -54.022392
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -10.337
flat angles C4'-P-C4' energy: -11.128
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -12.966
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: 7
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -133.857645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.857645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.857645 (E_RNA)
where:
Base-Base interactions energy: -76.681
where: short stacking energy: -47.860
Base-Backbone interact. energy: -0.046
local terms energy: -57.130104
where:
bonds (distance) C4'-P energy: -12.238
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -7.639
tors. eta vs tors. theta energy: -12.758
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: 4, replica: 5
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -121.083911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.083911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.083911 (E_RNA)
where:
Base-Base interactions energy: -66.331
where: short stacking energy: -41.297
Base-Backbone interact. energy: -0.297
local terms energy: -54.456277
where:
bonds (distance) C4'-P energy: -10.209
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -11.476
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -9.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -81.205045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.205045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.205045 (E_RNA)
where:
Base-Base interactions energy: -37.941
where: short stacking energy: -37.941
Base-Backbone interact. energy: -0.474
local terms energy: -42.790278
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -9.446
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: -4.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -86.555409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.555409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.555409 (E_RNA)
where:
Base-Base interactions energy: -39.449
where: short stacking energy: -39.449
Base-Backbone interact. energy: -0.067
local terms energy: -47.039247
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -10.249
flat angles C4'-P-C4' energy: -9.057
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -9.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -69.052727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.052727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.052727 (E_RNA)
where:
Base-Base interactions energy: -24.697
where: short stacking energy: -19.259
Base-Backbone interact. energy: -0.170
local terms energy: -44.186003
where:
bonds (distance) C4'-P energy: -9.108
bonds (distance) P-C4' energy: -11.498
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -3.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -64.861981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.861981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.861981 (E_RNA)
where:
Base-Base interactions energy: -24.232
where: short stacking energy: -21.810
Base-Backbone interact. energy: 0.243
local terms energy: -40.872682
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -7.522
flat angles C4'-P-C4' energy: -8.814
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -2.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -67.878023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.878023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.878023 (E_RNA)
where:
Base-Base interactions energy: -26.824
where: short stacking energy: -26.824
Base-Backbone interact. energy: -0.701
local terms energy: -40.352929
where:
bonds (distance) C4'-P energy: -8.268
bonds (distance) P-C4' energy: -9.556
flat angles C4'-P-C4' energy: -8.832
flat angles P-C4'-P energy: -6.224
tors. eta vs tors. theta energy: -7.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -61.288411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.288411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.288411 (E_RNA)
where:
Base-Base interactions energy: -18.869
where: short stacking energy: -18.869
Base-Backbone interact. energy: -0.129
local terms energy: -42.290925
where:
bonds (distance) C4'-P energy: -9.978
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -11.098
flat angles P-C4'-P energy: -4.996
tors. eta vs tors. theta energy: -2.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -138.408379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.408379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.408379 (E_RNA)
where:
Base-Base interactions energy: -86.865
where: short stacking energy: -48.379
Base-Backbone interact. energy: -0.062
local terms energy: -51.480655
where:
bonds (distance) C4'-P energy: -10.673
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -6.086
tors. eta vs tors. theta energy: -11.215
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: 8
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -131.840115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.840115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.840115 (E_RNA)
where:
Base-Base interactions energy: -75.833
where: short stacking energy: -48.664
Base-Backbone interact. energy: -0.009
local terms energy: -55.997983
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -10.622
flat angles C4'-P-C4' energy: -9.710
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -12.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -137.669834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.669834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.669834 (E_RNA)
where:
Base-Base interactions energy: -82.706
where: short stacking energy: -49.201
Base-Backbone interact. energy: -0.056
local terms energy: -54.908069
where:
bonds (distance) C4'-P energy: -11.513
bonds (distance) P-C4' energy: -10.091
flat angles C4'-P-C4' energy: -11.235
flat angles P-C4'-P energy: -8.485
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: 4, replica: 5
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -114.319375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.319375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.319375 (E_RNA)
where:
Base-Base interactions energy: -61.532
where: short stacking energy: -37.114
Base-Backbone interact. energy: -0.124
local terms energy: -52.663340
where:
bonds (distance) C4'-P energy: -8.599
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -9.857
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -11.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -83.181842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.181842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.181842 (E_RNA)
where:
Base-Base interactions energy: -37.798
where: short stacking energy: -20.130
Base-Backbone interact. energy: 0.005
local terms energy: -45.387978
where:
bonds (distance) C4'-P energy: -10.172
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -10.072
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -3.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -76.710696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.710696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.710696 (E_RNA)
where:
Base-Base interactions energy: -29.412
where: short stacking energy: -29.412
Base-Backbone interact. energy: -0.112
local terms energy: -47.186267
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -9.633
flat angles P-C4'-P energy: -5.906
tors. eta vs tors. theta energy: -6.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -80.210785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.210785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.210785 (E_RNA)
where:
Base-Base interactions energy: -42.395
where: short stacking energy: -19.744
Base-Backbone interact. energy: -0.147
local terms energy: -37.668611
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -9.933
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -2.025
tors. eta vs tors. theta energy: 0.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -83.343137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.343137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.343137 (E_RNA)
where:
Base-Base interactions energy: -38.997
where: short stacking energy: -18.240
Base-Backbone interact. energy: 1.474
local terms energy: -45.820074
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -9.049
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -2.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -66.195486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.195486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.195486 (E_RNA)
where:
Base-Base interactions energy: -33.511
where: short stacking energy: -33.511
Base-Backbone interact. energy: -0.111
local terms energy: -32.573280
where:
bonds (distance) C4'-P energy: -10.263
bonds (distance) P-C4' energy: -9.203
flat angles C4'-P-C4' energy: -8.261
flat angles P-C4'-P energy: -3.038
tors. eta vs tors. theta energy: -1.808
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: 10, replica: 4
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -66.428301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.428301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.428301 (E_RNA)
where:
Base-Base interactions energy: -25.412
where: short stacking energy: -23.167
Base-Backbone interact. energy: -0.231
local terms energy: -40.785166
where:
bonds (distance) C4'-P energy: -10.610
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -7.498
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -0.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -133.105142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.105142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.105142 (E_RNA)
where:
Base-Base interactions energy: -77.509
where: short stacking energy: -43.922
Base-Backbone interact. energy: -0.000
local terms energy: -55.595592
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -11.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -117.515583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.515583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.515583 (E_RNA)
where:
Base-Base interactions energy: -72.147
where: short stacking energy: -44.173
Base-Backbone interact. energy: -0.008
local terms energy: -45.360335
where:
bonds (distance) C4'-P energy: -8.855
bonds (distance) P-C4' energy: -11.019
flat angles C4'-P-C4' energy: -9.200
flat angles P-C4'-P energy: -7.037
tors. eta vs tors. theta energy: -9.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -132.704372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.704372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.704372 (E_RNA)
where:
Base-Base interactions energy: -78.471
where: short stacking energy: -45.909
Base-Backbone interact. energy: -0.019
local terms energy: -54.214718
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -5.586
tors. eta vs tors. theta energy: -11.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -105.710124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.710124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.710124 (E_RNA)
where:
Base-Base interactions energy: -59.394
where: short stacking energy: -32.156
Base-Backbone interact. energy: -0.001
local terms energy: -46.314420
where:
bonds (distance) C4'-P energy: -11.224
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -8.735
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -6.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -95.993487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.993487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.993487 (E_RNA)
where:
Base-Base interactions energy: -46.157
where: short stacking energy: -46.157
Base-Backbone interact. energy: -0.107
local terms energy: -49.729300
where:
bonds (distance) C4'-P energy: -9.170
bonds (distance) P-C4' energy: -10.421
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -9.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -77.408739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.408739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.408739 (E_RNA)
where:
Base-Base interactions energy: -30.608
where: short stacking energy: -30.608
Base-Backbone interact. energy: -0.085
local terms energy: -46.715259
where:
bonds (distance) C4'-P energy: -11.649
bonds (distance) P-C4' energy: -10.284
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -5.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -69.637062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.637062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.637062 (E_RNA)
where:
Base-Base interactions energy: -29.024
where: short stacking energy: -27.131
Base-Backbone interact. energy: -0.055
local terms energy: -40.558798
where:
bonds (distance) C4'-P energy: -7.799
bonds (distance) P-C4' energy: -11.286
flat angles C4'-P-C4' energy: -7.460
flat angles P-C4'-P energy: -5.971
tors. eta vs tors. theta energy: -8.042
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: 2
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -74.832783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.832783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.832783 (E_RNA)
where:
Base-Base interactions energy: -34.553
where: short stacking energy: -21.945
Base-Backbone interact. energy: -0.461
local terms energy: -39.819296
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -9.840
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: 1.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -60.657280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.657280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.657280 (E_RNA)
where:
Base-Base interactions energy: -23.121
where: short stacking energy: -23.121
Base-Backbone interact. energy: -0.080
local terms energy: -37.456839
where:
bonds (distance) C4'-P energy: -9.501
bonds (distance) P-C4' energy: -10.221
flat angles C4'-P-C4' energy: -5.868
flat angles P-C4'-P energy: -6.951
tors. eta vs tors. theta energy: -4.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -64.917021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.917021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.917021 (E_RNA)
where:
Base-Base interactions energy: -22.938
where: short stacking energy: -22.632
Base-Backbone interact. energy: -0.013
local terms energy: -41.966004
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -9.305
flat angles P-C4'-P energy: -1.600
tors. eta vs tors. theta energy: -5.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -128.392984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.392984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.392984 (E_RNA)
where:
Base-Base interactions energy: -73.954
where: short stacking energy: -44.653
Base-Backbone interact. energy: -0.089
local terms energy: -54.349845
where:
bonds (distance) C4'-P energy: -11.687
bonds (distance) P-C4' energy: -11.368
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -11.949
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: 7
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -137.515270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.515270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.515270 (E_RNA)
where:
Base-Base interactions energy: -81.428
where: short stacking energy: -48.445
Base-Backbone interact. energy: -0.002
local terms energy: -56.085932
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -6.531
tors. eta vs tors. theta energy: -12.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -123.121892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.121892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.121892 (E_RNA)
where:
Base-Base interactions energy: -77.208
where: short stacking energy: -45.473
Base-Backbone interact. energy: -0.005
local terms energy: -45.909216
where:
bonds (distance) C4'-P energy: -9.008
bonds (distance) P-C4' energy: -7.818
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -4.325
tors. eta vs tors. theta energy: -12.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -110.680126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.680126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.680126 (E_RNA)
where:
Base-Base interactions energy: -59.229
where: short stacking energy: -34.132
Base-Backbone interact. energy: -0.049
local terms energy: -51.401759
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -10.255
flat angles P-C4'-P energy: -6.302
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: 5, replica: 3
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -89.006381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.006381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.006381 (E_RNA)
where:
Base-Base interactions energy: -43.751
where: short stacking energy: -39.693
Base-Backbone interact. energy: 1.480
local terms energy: -46.735718
where:
bonds (distance) C4'-P energy: -10.333
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -8.825
flat angles P-C4'-P energy: -1.737
tors. eta vs tors. theta energy: -12.119
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: 1
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -78.642821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.642821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.642821 (E_RNA)
where:
Base-Base interactions energy: -33.831
where: short stacking energy: -25.513
Base-Backbone interact. energy: -0.099
local terms energy: -44.712764
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -5.577
flat angles P-C4'-P energy: -6.408
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: 7, replica: 10
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -68.855367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.855367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.855367 (E_RNA)
where:
Base-Base interactions energy: -28.707
where: short stacking energy: -28.707
Base-Backbone interact. energy: -0.180
local terms energy: -39.968412
where:
bonds (distance) C4'-P energy: -11.890
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -5.594
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: -4.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -78.042777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.042777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.042777 (E_RNA)
where:
Base-Base interactions energy: -32.628
where: short stacking energy: -24.356
Base-Backbone interact. energy: -0.046
local terms energy: -45.368836
where:
bonds (distance) C4'-P energy: -11.041
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -8.743
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: 9, replica: 4
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -79.030708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.030708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.030708 (E_RNA)
where:
Base-Base interactions energy: -41.212
where: short stacking energy: -32.280
Base-Backbone interact. energy: 1.092
local terms energy: -38.910143
where:
bonds (distance) C4'-P energy: -9.302
bonds (distance) P-C4' energy: -7.770
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -5.509
tors. eta vs tors. theta energy: -5.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -51.915356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.915356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.915356 (E_RNA)
where:
Base-Base interactions energy: -18.784
where: short stacking energy: -15.570
Base-Backbone interact. energy: 1.989
local terms energy: -35.121276
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -10.154
flat angles C4'-P-C4' energy: -11.479
flat angles P-C4'-P energy: -3.773
tors. eta vs tors. theta energy: 2.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -138.892681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.892681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.892681 (E_RNA)
where:
Base-Base interactions energy: -86.822
where: short stacking energy: -50.748
Base-Backbone interact. energy: -0.003
local terms energy: -52.067922
where:
bonds (distance) C4'-P energy: -12.457
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -3.714
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: 2, replica: 6
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -137.607543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.607543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.607543 (E_RNA)
where:
Base-Base interactions energy: -78.207
where: short stacking energy: -40.215
Base-Backbone interact. energy: -0.021
local terms energy: -59.379793
where:
bonds (distance) C4'-P energy: -11.952
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -14.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -115.076449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.076449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.076449 (E_RNA)
where:
Base-Base interactions energy: -64.118
where: short stacking energy: -32.599
Base-Backbone interact. energy: -0.019
local terms energy: -50.939554
where:
bonds (distance) C4'-P energy: -11.116
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -7.254
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: 8
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -121.331987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.331987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.331987 (E_RNA)
where:
Base-Base interactions energy: -71.565
where: short stacking energy: -41.798
Base-Backbone interact. energy: -0.156
local terms energy: -49.610883
where:
bonds (distance) C4'-P energy: -8.462
bonds (distance) P-C4' energy: -10.452
flat angles C4'-P-C4' energy: -11.433
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -10.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -101.371789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.371789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.371789 (E_RNA)
where:
Base-Base interactions energy: -53.993
where: short stacking energy: -30.521
Base-Backbone interact. energy: 1.678
local terms energy: -49.056782
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -9.845
flat angles P-C4'-P energy: -6.462
tors. eta vs tors. theta energy: -6.133
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: 6, replica: 3
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -83.534718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.534718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.534718 (E_RNA)
where:
Base-Base interactions energy: -36.500
where: short stacking energy: -36.500
Base-Backbone interact. energy: 1.673
local terms energy: -48.708190
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -10.160
flat angles C4'-P-C4' energy: -10.864
flat angles P-C4'-P energy: -8.294
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: 7, replica: 2
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -69.736140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.736140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.736140 (E_RNA)
where:
Base-Base interactions energy: -33.700
where: short stacking energy: -30.341
Base-Backbone interact. energy: -0.005
local terms energy: -36.031674
where:
bonds (distance) C4'-P energy: -6.836
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -7.874
flat angles P-C4'-P energy: -5.331
tors. eta vs tors. theta energy: -2.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -70.211000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.211000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.211000 (E_RNA)
where:
Base-Base interactions energy: -26.888
where: short stacking energy: -26.888
Base-Backbone interact. energy: -0.207
local terms energy: -43.116104
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -5.065
tors. eta vs tors. theta energy: -0.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -66.966771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.966771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.966771 (E_RNA)
where:
Base-Base interactions energy: -23.389
where: short stacking energy: -22.504
Base-Backbone interact. energy: -0.123
local terms energy: -43.454900
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -9.271
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: -5.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -60.583221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.583221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.583221 (E_RNA)
where:
Base-Base interactions energy: -19.957
where: short stacking energy: -19.957
Base-Backbone interact. energy: -0.080
local terms energy: -40.545466
where:
bonds (distance) C4'-P energy: -8.293
bonds (distance) P-C4' energy: -10.697
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -3.895
tors. eta vs tors. theta energy: -4.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -132.957490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.957490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.957490 (E_RNA)
where:
Base-Base interactions energy: -73.758
where: short stacking energy: -48.906
Base-Backbone interact. energy: -0.205
local terms energy: -58.994982
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -12.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -134.359496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.359496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.359496 (E_RNA)
where:
Base-Base interactions energy: -79.860
where: short stacking energy: -46.266
Base-Backbone interact. energy: -0.000
local terms energy: -54.499531
where:
bonds (distance) C4'-P energy: -12.077
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -6.189
tors. eta vs tors. theta energy: -10.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -126.413029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.413029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.413029 (E_RNA)
where:
Base-Base interactions energy: -67.859
where: short stacking energy: -40.048
Base-Backbone interact. energy: -0.268
local terms energy: -58.286206
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -7.197
tors. eta vs tors. theta energy: -12.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -119.246369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.246369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.246369 (E_RNA)
where:
Base-Base interactions energy: -68.484
where: short stacking energy: -40.272
Base-Backbone interact. energy: -0.085
local terms energy: -50.677082
where:
bonds (distance) C4'-P energy: -10.136
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -8.785
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -11.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -80.288521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.288521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.288521 (E_RNA)
where:
Base-Base interactions energy: -34.408
where: short stacking energy: -19.960
Base-Backbone interact. energy: -0.543
local terms energy: -45.338195
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -9.145
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -0.237
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: 3
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -78.340028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.340028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.340028 (E_RNA)
where:
Base-Base interactions energy: -33.445
where: short stacking energy: -33.445
Base-Backbone interact. energy: -0.007
local terms energy: -44.888301
where:
bonds (distance) C4'-P energy: -8.516
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -4.953
tors. eta vs tors. theta energy: -5.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -76.617526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.617526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.617526 (E_RNA)
where:
Base-Base interactions energy: -37.837
where: short stacking energy: -22.429
Base-Backbone interact. energy: -0.018
local terms energy: -38.761707
where:
bonds (distance) C4'-P energy: -8.803
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -10.196
flat angles P-C4'-P energy: -1.704
tors. eta vs tors. theta energy: -4.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -71.340177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.340177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.340177 (E_RNA)
where:
Base-Base interactions energy: -32.932
where: short stacking energy: -32.932
Base-Backbone interact. energy: -0.096
local terms energy: -38.312396
where:
bonds (distance) C4'-P energy: -7.735
bonds (distance) P-C4' energy: -8.905
flat angles C4'-P-C4' energy: -6.153
flat angles P-C4'-P energy: -5.116
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: 9, replica: 10
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -63.522863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.522863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.522863 (E_RNA)
where:
Base-Base interactions energy: -29.991
where: short stacking energy: -19.301
Base-Backbone interact. energy: 0.378
local terms energy: -33.910321
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -8.814
flat angles C4'-P-C4' energy: -8.685
flat angles P-C4'-P energy: -5.929
tors. eta vs tors. theta energy: 2.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -62.171692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.171692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.171692 (E_RNA)
where:
Base-Base interactions energy: -22.540
where: short stacking energy: -17.418
Base-Backbone interact. energy: -0.274
local terms energy: -39.358053
where:
bonds (distance) C4'-P energy: -10.793
bonds (distance) P-C4' energy: -12.702
flat angles C4'-P-C4' energy: -10.017
flat angles P-C4'-P energy: -5.958
tors. eta vs tors. theta energy: 0.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -138.968930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.968930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.968930 (E_RNA)
where:
Base-Base interactions energy: -78.708
where: short stacking energy: -49.722
Base-Backbone interact. energy: -0.024
local terms energy: -60.236894
where:
bonds (distance) C4'-P energy: -9.108
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -14.000
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: 7
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -127.894890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.894890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.894890 (E_RNA)
where:
Base-Base interactions energy: -81.466
where: short stacking energy: -46.924
Base-Backbone interact. energy: -0.003
local terms energy: -46.426336
where:
bonds (distance) C4'-P energy: -9.691
bonds (distance) P-C4' energy: -6.835
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -9.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -115.555782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.555782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.555782 (E_RNA)
where:
Base-Base interactions energy: -65.395
where: short stacking energy: -39.320
Base-Backbone interact. energy: -0.164
local terms energy: -49.996584
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -4.378
tors. eta vs tors. theta energy: -6.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -106.373397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.373397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.373397 (E_RNA)
where:
Base-Base interactions energy: -65.790
where: short stacking energy: -40.319
Base-Backbone interact. energy: -0.022
local terms energy: -40.561352
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -6.958
flat angles C4'-P-C4' energy: -10.552
flat angles P-C4'-P energy: -3.893
tors. eta vs tors. theta energy: -6.639
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: 3
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -93.784672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.784672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.784672 (E_RNA)
where:
Base-Base interactions energy: -43.275
where: short stacking energy: -33.846
Base-Backbone interact. energy: -0.004
local terms energy: -50.506310
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -8.843
flat angles C4'-P-C4' energy: -10.351
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -9.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -76.637808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.637808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.637808 (E_RNA)
where:
Base-Base interactions energy: -38.106
where: short stacking energy: -38.106
Base-Backbone interact. energy: -0.185
local terms energy: -38.347311
where:
bonds (distance) C4'-P energy: -9.890
bonds (distance) P-C4' energy: -8.048
flat angles C4'-P-C4' energy: -8.267
flat angles P-C4'-P energy: -6.101
tors. eta vs tors. theta energy: -6.042
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: 208
Temperature: 1.200000
Total energy: -67.645600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.645600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.645600 (E_RNA)
where:
Base-Base interactions energy: -27.432
where: short stacking energy: -27.432
Base-Backbone interact. energy: 0.980
local terms energy: -41.193551
where:
bonds (distance) C4'-P energy: -8.115
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -11.095
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -2.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -65.709952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.709952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.709952 (E_RNA)
where:
Base-Base interactions energy: -24.262
where: short stacking energy: -22.925
Base-Backbone interact. energy: -0.352
local terms energy: -41.096595
where:
bonds (distance) C4'-P energy: -6.380
bonds (distance) P-C4' energy: -10.080
flat angles C4'-P-C4' energy: -9.572
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -4.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -69.534438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.534438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.534438 (E_RNA)
where:
Base-Base interactions energy: -27.558
where: short stacking energy: -27.558
Base-Backbone interact. energy: -0.002
local terms energy: -41.974678
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -9.584
flat angles C4'-P-C4' energy: -7.390
flat angles P-C4'-P energy: -4.394
tors. eta vs tors. theta energy: -8.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -72.172540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.172540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.172540 (E_RNA)
where:
Base-Base interactions energy: -30.483
where: short stacking energy: -22.627
Base-Backbone interact. energy: -0.256
local terms energy: -41.433437
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -10.196
flat angles C4'-P-C4' energy: -10.465
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: -3.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -130.122295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.122295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.122295 (E_RNA)
where:
Base-Base interactions energy: -81.724
where: short stacking energy: -44.576
Base-Backbone interact. energy: -0.048
local terms energy: -48.350161
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -9.331
flat angles P-C4'-P energy: -5.294
tors. eta vs tors. theta energy: -8.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -144.251829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.251829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.251829 (E_RNA)
where:
Base-Base interactions energy: -82.170
where: short stacking energy: -48.403
Base-Backbone interact. energy: -0.006
local terms energy: -62.076345
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -11.024
flat angles P-C4'-P energy: -7.954
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: 3, replica: 7
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -126.733445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.733445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.733445 (E_RNA)
where:
Base-Base interactions energy: -73.688
where: short stacking energy: -42.763
Base-Backbone interact. energy: -0.042
local terms energy: -53.003233
where:
bonds (distance) C4'-P energy: -10.495
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -6.504
tors. eta vs tors. theta energy: -10.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -119.910370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.910370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.910370 (E_RNA)
where:
Base-Base interactions energy: -70.665
where: short stacking energy: -41.653
Base-Backbone interact. energy: -0.019
local terms energy: -49.227115
where:
bonds (distance) C4'-P energy: -8.475
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -7.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -86.209957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.209957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.209957 (E_RNA)
where:
Base-Base interactions energy: -36.155
where: short stacking energy: -36.155
Base-Backbone interact. energy: -0.048
local terms energy: -50.006648
where:
bonds (distance) C4'-P energy: -9.878
bonds (distance) P-C4' energy: -10.355
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: -9.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -77.904316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.904316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.904316 (E_RNA)
where:
Base-Base interactions energy: -29.910
where: short stacking energy: -29.910
Base-Backbone interact. energy: -0.008
local terms energy: -47.986695
where:
bonds (distance) C4'-P energy: -11.169
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -3.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -71.570727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.570727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.570727 (E_RNA)
where:
Base-Base interactions energy: -25.461
where: short stacking energy: -25.461
Base-Backbone interact. energy: -0.005
local terms energy: -46.104863
where:
bonds (distance) C4'-P energy: -10.222
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -5.156
tors. eta vs tors. theta energy: -6.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -62.212386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.212386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.212386 (E_RNA)
where:
Base-Base interactions energy: -22.509
where: short stacking energy: -22.509
Base-Backbone interact. energy: -0.041
local terms energy: -39.662508
where:
bonds (distance) C4'-P energy: -11.104
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -2.129
tors. eta vs tors. theta energy: -3.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -63.932933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.932933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.932933 (E_RNA)
where:
Base-Base interactions energy: -24.845
where: short stacking energy: -24.676
Base-Backbone interact. energy: -0.333
local terms energy: -38.754540
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -8.964
flat angles C4'-P-C4' energy: -7.440
flat angles P-C4'-P energy: -5.968
tors. eta vs tors. theta energy: -4.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -63.805808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.805808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.805808 (E_RNA)
where:
Base-Base interactions energy: -23.509
where: short stacking energy: -23.509
Base-Backbone interact. energy: -0.101
local terms energy: -40.196586
where:
bonds (distance) C4'-P energy: -8.562
bonds (distance) P-C4' energy: -10.885
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -3.911
tors. eta vs tors. theta energy: -5.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -133.117231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.117231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.117231 (E_RNA)
where:
Base-Base interactions energy: -71.698
where: short stacking energy: -39.668
Base-Backbone interact. energy: 0.171
local terms energy: -61.589918
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -12.346
flat angles P-C4'-P energy: -9.161
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: 2, replica: 6
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -136.930369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.930369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.930369 (E_RNA)
where:
Base-Base interactions energy: -84.020
where: short stacking energy: -42.958
Base-Backbone interact. energy: -0.004
local terms energy: -52.906120
where:
bonds (distance) C4'-P energy: -10.188
bonds (distance) P-C4' energy: -10.234
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -6.653
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: 3, replica: 5
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -119.115247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.115247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.115247 (E_RNA)
where:
Base-Base interactions energy: -73.418
where: short stacking energy: -31.132
Base-Backbone interact. energy: -0.617
local terms energy: -45.080272
where:
bonds (distance) C4'-P energy: -7.610
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -10.687
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -7.699
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: 7
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -119.912962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.912962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.912962 (E_RNA)
where:
Base-Base interactions energy: -66.405
where: short stacking energy: -35.530
Base-Backbone interact. energy: -0.118
local terms energy: -53.390007
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -10.693
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -9.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -85.196234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.196234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.196234 (E_RNA)
where:
Base-Base interactions energy: -32.181
where: short stacking energy: -32.181
Base-Backbone interact. energy: -0.000
local terms energy: -53.015154
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -12.334
flat angles P-C4'-P energy: -5.406
tors. eta vs tors. theta energy: -11.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -82.777124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.777124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.777124 (E_RNA)
where:
Base-Base interactions energy: -38.137
where: short stacking energy: -28.758
Base-Backbone interact. energy: -0.090
local terms energy: -44.550445
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -9.995
flat angles P-C4'-P energy: -5.258
tors. eta vs tors. theta energy: -6.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -62.809628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.809628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.809628 (E_RNA)
where:
Base-Base interactions energy: -17.859
where: short stacking energy: -17.859
Base-Backbone interact. energy: -0.250
local terms energy: -44.700946
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -8.439
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -3.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -69.194937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.194937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.194937 (E_RNA)
where:
Base-Base interactions energy: -28.020
where: short stacking energy: -28.020
Base-Backbone interact. energy: -0.233
local terms energy: -40.941865
where:
bonds (distance) C4'-P energy: -11.137
bonds (distance) P-C4' energy: -9.278
flat angles C4'-P-C4' energy: -9.559
flat angles P-C4'-P energy: -6.077
tors. eta vs tors. theta energy: -4.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -69.776025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.776025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.776025 (E_RNA)
where:
Base-Base interactions energy: -29.821
where: short stacking energy: -27.509
Base-Backbone interact. energy: -0.068
local terms energy: -39.886261
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -8.896
flat angles P-C4'-P energy: -4.822
tors. eta vs tors. theta energy: -2.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -55.132630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.132630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.132630 (E_RNA)
where:
Base-Base interactions energy: -13.354
where: short stacking energy: -13.354
Base-Backbone interact. energy: -0.127
local terms energy: -41.652043
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -9.813
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -3.644
tors. eta vs tors. theta energy: -1.827
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: 1, replica: 8
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -123.414388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.414388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.414388 (E_RNA)
where:
Base-Base interactions energy: -76.069
where: short stacking energy: -39.271
Base-Backbone interact. energy: -0.191
local terms energy: -47.153959
where:
bonds (distance) C4'-P energy: -9.261
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -10.981
flat angles P-C4'-P energy: -2.840
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: 2, replica: 6
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -131.704528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.704528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.704528 (E_RNA)
where:
Base-Base interactions energy: -75.571
where: short stacking energy: -45.917
Base-Backbone interact. energy: -0.035
local terms energy: -56.098833
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -9.793
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -9.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -120.713577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.713577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.713577 (E_RNA)
where:
Base-Base interactions energy: -69.480
where: short stacking energy: -31.638
Base-Backbone interact. energy: -0.105
local terms energy: -51.128526
where:
bonds (distance) C4'-P energy: -13.430
bonds (distance) P-C4' energy: -11.010
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -3.581
tors. eta vs tors. theta energy: -10.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -98.467742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.467742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.467742 (E_RNA)
where:
Base-Base interactions energy: -47.978
where: short stacking energy: -47.978
Base-Backbone interact. energy: -0.007
local terms energy: -50.482994
where:
bonds (distance) C4'-P energy: -8.889
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -7.322
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -11.519
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: 5, replica: 7
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -108.868624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.868624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.868624 (E_RNA)
where:
Base-Base interactions energy: -58.298
where: short stacking energy: -34.746
Base-Backbone interact. energy: -0.188
local terms energy: -50.382329
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -8.930
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -8.581
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: 6, replica: 4
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -79.196877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.196877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.196877 (E_RNA)
where:
Base-Base interactions energy: -37.246
where: short stacking energy: -26.987
Base-Backbone interact. energy: -0.365
local terms energy: -41.586243
where:
bonds (distance) C4'-P energy: -10.395
bonds (distance) P-C4' energy: -8.058
flat angles C4'-P-C4' energy: -7.142
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -5.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -84.797602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.797602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.797602 (E_RNA)
where:
Base-Base interactions energy: -37.262
where: short stacking energy: -37.262
Base-Backbone interact. energy: -0.028
local terms energy: -47.507577
where:
bonds (distance) C4'-P energy: -10.317
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -10.820
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -6.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -75.782620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.782620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.782620 (E_RNA)
where:
Base-Base interactions energy: -31.417
where: short stacking energy: -31.417
Base-Backbone interact. energy: -0.015
local terms energy: -44.350885
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -10.122
flat angles C4'-P-C4' energy: -11.352
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -3.974
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: 1
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -75.318981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.318981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.318981 (E_RNA)
where:
Base-Base interactions energy: -34.594
where: short stacking energy: -30.613
Base-Backbone interact. energy: -0.001
local terms energy: -40.724380
where:
bonds (distance) C4'-P energy: -5.311
bonds (distance) P-C4' energy: -10.608
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -6.625
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: 2
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -62.400394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.400394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.400394 (E_RNA)
where:
Base-Base interactions energy: -24.413
where: short stacking energy: -24.413
Base-Backbone interact. energy: -0.023
local terms energy: -37.964877
where:
bonds (distance) C4'-P energy: -9.153
bonds (distance) P-C4' energy: -9.787
flat angles C4'-P-C4' energy: -10.923
flat angles P-C4'-P energy: -2.069
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: 1, replica: 6
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -143.532727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.532727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.532727 (E_RNA)
where:
Base-Base interactions energy: -83.709
where: short stacking energy: -50.014
Base-Backbone interact. energy: -0.055
local terms energy: -59.769323
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -10.991
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -8.773
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: 2, replica: 8
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -139.094126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.094126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.094126 (E_RNA)
where:
Base-Base interactions energy: -80.542
where: short stacking energy: -46.999
Base-Backbone interact. energy: -0.016
local terms energy: -58.535175
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -10.381
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -13.917
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: 3, replica: 9
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -89.571858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.571858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.571858 (E_RNA)
where:
Base-Base interactions energy: -35.869
where: short stacking energy: -35.869
Base-Backbone interact. energy: -0.000
local terms energy: -53.702341
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -4.024
tors. eta vs tors. theta energy: -9.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -115.416111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.416111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.416111 (E_RNA)
where:
Base-Base interactions energy: -63.554
where: short stacking energy: -32.250
Base-Backbone interact. energy: -0.017
local terms energy: -51.845446
where:
bonds (distance) C4'-P energy: -10.073
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -5.339
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: 5, replica: 7
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -115.798424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.798424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.798424 (E_RNA)
where:
Base-Base interactions energy: -67.640
where: short stacking energy: -36.711
Base-Backbone interact. energy: -0.101
local terms energy: -48.056675
where:
bonds (distance) C4'-P energy: -9.193
bonds (distance) P-C4' energy: -9.602
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -9.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -74.312635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.312635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.312635 (E_RNA)
where:
Base-Base interactions energy: -32.004
where: short stacking energy: -32.004
Base-Backbone interact. energy: -0.122
local terms energy: -42.186560
where:
bonds (distance) C4'-P energy: -5.593
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -7.742
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: 7, replica: 10
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -75.666443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.666443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.666443 (E_RNA)
where:
Base-Base interactions energy: -27.676
where: short stacking energy: -27.676
Base-Backbone interact. energy: -0.093
local terms energy: -47.897436
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -6.009
tors. eta vs tors. theta energy: -6.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -60.356218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.356218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.356218 (E_RNA)
where:
Base-Base interactions energy: -22.040
where: short stacking energy: -20.301
Base-Backbone interact. energy: 1.405
local terms energy: -39.720613
where:
bonds (distance) C4'-P energy: -9.049
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -10.709
flat angles P-C4'-P energy: -5.462
tors. eta vs tors. theta energy: -2.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -78.575671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.575671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.575671 (E_RNA)
where:
Base-Base interactions energy: -48.882
where: short stacking energy: -30.336
Base-Backbone interact. energy: -0.111
local terms energy: -29.582700
where:
bonds (distance) C4'-P energy: -6.574
bonds (distance) P-C4' energy: -10.179
flat angles C4'-P-C4' energy: -6.742
flat angles P-C4'-P energy: -3.969
tors. eta vs tors. theta energy: -2.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -68.584751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.584751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.584751 (E_RNA)
where:
Base-Base interactions energy: -24.985
where: short stacking energy: -24.985
Base-Backbone interact. energy: -0.117
local terms energy: -43.482954
where:
bonds (distance) C4'-P energy: -8.798
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -11.394
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -2.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -146.681825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.681825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.681825 (E_RNA)
where:
Base-Base interactions energy: -87.975
where: short stacking energy: -52.290
Base-Backbone interact. energy: -0.067
local terms energy: -58.639889
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -11.470
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -6.482
tors. eta vs tors. theta energy: -15.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -128.673692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.673692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.673692 (E_RNA)
where:
Base-Base interactions energy: -71.847
where: short stacking energy: -41.001
Base-Backbone interact. energy: -0.001
local terms energy: -56.825941
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -9.792
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -12.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -93.420111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.420111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.420111 (E_RNA)
where:
Base-Base interactions energy: -47.905
where: short stacking energy: -46.539
Base-Backbone interact. energy: -0.000
local terms energy: -45.514933
where:
bonds (distance) C4'-P energy: -10.271
bonds (distance) P-C4' energy: -9.581
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: -4.867
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: 4, replica: 5
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -113.565880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.565880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.565880 (E_RNA)
where:
Base-Base interactions energy: -58.609
where: short stacking energy: -36.762
Base-Backbone interact. energy: -0.031
local terms energy: -54.925991
where:
bonds (distance) C4'-P energy: -11.667
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -6.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -113.396880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.396880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.396880 (E_RNA)
where:
Base-Base interactions energy: -66.606
where: short stacking energy: -37.404
Base-Backbone interact. energy: -0.011
local terms energy: -46.779235
where:
bonds (distance) C4'-P energy: -11.791
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -10.531
flat angles P-C4'-P energy: -4.541
tors. eta vs tors. theta energy: -7.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -93.843567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.843567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.843567 (E_RNA)
where:
Base-Base interactions energy: -39.103
where: short stacking energy: -39.103
Base-Backbone interact. energy: -0.015
local terms energy: -54.724816
where:
bonds (distance) C4'-P energy: -9.087
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -11.948
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -12.240
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: 7, replica: 4
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -74.226650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.226650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.226650 (E_RNA)
where:
Base-Base interactions energy: -29.734
where: short stacking energy: -29.734
Base-Backbone interact. energy: -0.204
local terms energy: -44.288927
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -10.208
flat angles C4'-P-C4' energy: -9.165
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -3.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -67.218712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.218712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.218712 (E_RNA)
where:
Base-Base interactions energy: -29.963
where: short stacking energy: -29.963
Base-Backbone interact. energy: -0.221
local terms energy: -37.034977
where:
bonds (distance) C4'-P energy: -6.581
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -9.752
flat angles P-C4'-P energy: -4.918
tors. eta vs tors. theta energy: -2.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -66.627483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.627483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.627483 (E_RNA)
where:
Base-Base interactions energy: -22.763
where: short stacking energy: -22.763
Base-Backbone interact. energy: 0.933
local terms energy: -44.797043
where:
bonds (distance) C4'-P energy: -9.505
bonds (distance) P-C4' energy: -11.044
flat angles C4'-P-C4' energy: -11.191
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -4.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -74.389367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.389367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.389367 (E_RNA)
where:
Base-Base interactions energy: -31.749
where: short stacking energy: -32.149
Base-Backbone interact. energy: -0.064
local terms energy: -42.575811
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -8.112
flat angles C4'-P-C4' energy: -9.442
flat angles P-C4'-P energy: -4.345
tors. eta vs tors. theta energy: -7.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -138.717210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.717210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.717210 (E_RNA)
where:
Base-Base interactions energy: -81.644
where: short stacking energy: -49.819
Base-Backbone interact. energy: -0.199
local terms energy: -56.874176
where:
bonds (distance) C4'-P energy: -9.895
bonds (distance) P-C4' energy: -10.315
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -14.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -134.847148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.847148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.847148 (E_RNA)
where:
Base-Base interactions energy: -83.197
where: short stacking energy: -43.479
Base-Backbone interact. energy: -0.012
local terms energy: -51.638103
where:
bonds (distance) C4'-P energy: -12.147
bonds (distance) P-C4' energy: -9.989
flat angles C4'-P-C4' energy: -10.240
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: -11.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -128.898172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.898172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.898172 (E_RNA)
where:
Base-Base interactions energy: -75.792
where: short stacking energy: -45.025
Base-Backbone interact. energy: -0.001
local terms energy: -53.105111
where:
bonds (distance) C4'-P energy: -9.372
bonds (distance) P-C4' energy: -10.327
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -8.349
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: 4, replica: 9
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -92.704897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.704897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.704897 (E_RNA)
where:
Base-Base interactions energy: -40.761
where: short stacking energy: -38.234
Base-Backbone interact. energy: -0.001
local terms energy: -51.943316
where:
bonds (distance) C4'-P energy: -9.497
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -9.252
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: 5, replica: 7
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -117.474909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.474909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.474909 (E_RNA)
where:
Base-Base interactions energy: -63.108
where: short stacking energy: -42.099
Base-Backbone interact. energy: -0.011
local terms energy: -54.356408
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -11.047
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -12.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -78.585798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.585798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.585798 (E_RNA)
where:
Base-Base interactions energy: -35.180
where: short stacking energy: -35.132
Base-Backbone interact. energy: -0.002
local terms energy: -43.403356
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -8.127
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: -4.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -84.704357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.704357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.704357 (E_RNA)
where:
Base-Base interactions energy: -41.477
where: short stacking energy: -41.477
Base-Backbone interact. energy: -0.001
local terms energy: -43.226377
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -9.924
flat angles C4'-P-C4' energy: -8.536
flat angles P-C4'-P energy: -4.433
tors. eta vs tors. theta energy: -9.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -74.486782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.486782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.486782 (E_RNA)
where:
Base-Base interactions energy: -30.630
where: short stacking energy: -30.630
Base-Backbone interact. energy: -0.013
local terms energy: -43.843520
where:
bonds (distance) C4'-P energy: -7.825
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -10.122
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -5.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -60.711191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.711191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.711191 (E_RNA)
where:
Base-Base interactions energy: -23.766
where: short stacking energy: -18.056
Base-Backbone interact. energy: -0.091
local terms energy: -36.854513
where:
bonds (distance) C4'-P energy: -11.169
bonds (distance) P-C4' energy: -10.163
flat angles C4'-P-C4' energy: -7.884
flat angles P-C4'-P energy: -5.399
tors. eta vs tors. theta energy: -2.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -65.675893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.675893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.675893 (E_RNA)
where:
Base-Base interactions energy: -19.698
where: short stacking energy: -19.698
Base-Backbone interact. energy: -0.031
local terms energy: -45.947310
where:
bonds (distance) C4'-P energy: -8.472
bonds (distance) P-C4' energy: -11.609
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -4.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -146.858360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.858360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.858360 (E_RNA)
where:
Base-Base interactions energy: -86.896
where: short stacking energy: -52.433
Base-Backbone interact. energy: -0.081
local terms energy: -59.881826
where:
bonds (distance) C4'-P energy: -11.343
bonds (distance) P-C4' energy: -10.993
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -8.001
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: 2, replica: 5
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -144.543475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.543475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.543475 (E_RNA)
where:
Base-Base interactions energy: -84.345
where: short stacking energy: -50.945
Base-Backbone interact. energy: -0.003
local terms energy: -60.195491
where:
bonds (distance) C4'-P energy: -10.413
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -15.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -130.493345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.493345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.493345 (E_RNA)
where:
Base-Base interactions energy: -76.380
where: short stacking energy: -50.105
Base-Backbone interact. energy: -0.036
local terms energy: -54.077610
where:
bonds (distance) C4'-P energy: -10.784
bonds (distance) P-C4' energy: -9.188
flat angles C4'-P-C4' energy: -10.569
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -12.613
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: 4, replica: 7
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -134.375277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.375277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.375277 (E_RNA)
where:
Base-Base interactions energy: -78.363
where: short stacking energy: -45.457
Base-Backbone interact. energy: -0.057
local terms energy: -55.955454
where:
bonds (distance) C4'-P energy: -9.783
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -12.079
flat angles P-C4'-P energy: -7.124
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: 5, replica: 9
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -85.278120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.278120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.278120 (E_RNA)
where:
Base-Base interactions energy: -40.162
where: short stacking energy: -40.162
Base-Backbone interact. energy: -0.024
local terms energy: -45.092332
where:
bonds (distance) C4'-P energy: -10.453
bonds (distance) P-C4' energy: -11.334
flat angles C4'-P-C4' energy: -10.260
flat angles P-C4'-P energy: -4.729
tors. eta vs tors. theta energy: -8.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -82.303059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.303059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.303059 (E_RNA)
where:
Base-Base interactions energy: -36.821
where: short stacking energy: -36.821
Base-Backbone interact. energy: -0.127
local terms energy: -45.355214
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -8.666
flat angles P-C4'-P energy: -6.234
tors. eta vs tors. theta energy: -7.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -78.443418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.443418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.443418 (E_RNA)
where:
Base-Base interactions energy: -31.774
where: short stacking energy: -31.974
Base-Backbone interact. energy: -0.019
local terms energy: -46.649954
where:
bonds (distance) C4'-P energy: -10.305
bonds (distance) P-C4' energy: -10.675
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -8.714
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: 8, replica: 1
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -72.818596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.818596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.818596 (E_RNA)
where:
Base-Base interactions energy: -28.280
where: short stacking energy: -28.280
Base-Backbone interact. energy: -0.009
local terms energy: -44.529628
where:
bonds (distance) C4'-P energy: -9.117
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -10.224
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -6.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -59.953049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.953049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.953049 (E_RNA)
where:
Base-Base interactions energy: -22.655
where: short stacking energy: -18.276
Base-Backbone interact. energy: -0.005
local terms energy: -37.293316
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -9.525
flat angles C4'-P-C4' energy: -7.357
flat angles P-C4'-P energy: -6.922
tors. eta vs tors. theta energy: -1.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -64.982531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.982531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.982531 (E_RNA)
where:
Base-Base interactions energy: -24.197
where: short stacking energy: -24.197
Base-Backbone interact. energy: -0.487
local terms energy: -40.298341
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -10.520
flat angles C4'-P-C4' energy: -8.451
flat angles P-C4'-P energy: -2.877
tors. eta vs tors. theta energy: -6.548
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: 216
Temperature: 0.900000
Total energy: -146.942580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.942580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.942580 (E_RNA)
where:
Base-Base interactions energy: -85.750
where: short stacking energy: -52.627
Base-Backbone interact. energy: -0.043
local terms energy: -61.149477
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -10.746
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -17.297
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: 5
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -120.861124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.861124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.861124 (E_RNA)
where:
Base-Base interactions energy: -66.214
where: short stacking energy: -37.264
Base-Backbone interact. energy: -0.010
local terms energy: -54.636693
where:
bonds (distance) C4'-P energy: -8.777
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -10.561
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: 7
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -126.047007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.047007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.047007 (E_RNA)
where:
Base-Base interactions energy: -71.353
where: short stacking energy: -41.968
Base-Backbone interact. energy: -0.068
local terms energy: -54.626534
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -9.504
flat angles P-C4'-P energy: -5.562
tors. eta vs tors. theta energy: -14.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -112.187653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.187653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.187653 (E_RNA)
where:
Base-Base interactions energy: -65.129
where: short stacking energy: -30.468
Base-Backbone interact. energy: -0.030
local terms energy: -47.028915
where:
bonds (distance) C4'-P energy: -9.837
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -9.682
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -7.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -75.317439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.317439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.317439 (E_RNA)
where:
Base-Base interactions energy: -31.436
where: short stacking energy: -31.436
Base-Backbone interact. energy: -0.739
local terms energy: -43.142734
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -3.627
tors. eta vs tors. theta energy: -1.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -75.462381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.462381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.462381 (E_RNA)
where:
Base-Base interactions energy: -30.248
where: short stacking energy: -30.248
Base-Backbone interact. energy: -0.071
local terms energy: -45.143394
where:
bonds (distance) C4'-P energy: -9.903
bonds (distance) P-C4' energy: -7.431
flat angles C4'-P-C4' energy: -11.686
flat angles P-C4'-P energy: -4.079
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: 7, replica: 4
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -77.610418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.610418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.610418 (E_RNA)
where:
Base-Base interactions energy: -33.866
where: short stacking energy: -33.076
Base-Backbone interact. energy: -0.079
local terms energy: -43.665567
where:
bonds (distance) C4'-P energy: -10.491
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -8.576
flat angles P-C4'-P energy: -3.497
tors. eta vs tors. theta energy: -7.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -70.947038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.947038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.947038 (E_RNA)
where:
Base-Base interactions energy: -35.603
where: short stacking energy: -29.109
Base-Backbone interact. energy: -0.002
local terms energy: -35.341709
where:
bonds (distance) C4'-P energy: -3.167
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -9.036
flat angles P-C4'-P energy: -2.952
tors. eta vs tors. theta energy: -7.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -64.534548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.534548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.534548 (E_RNA)
where:
Base-Base interactions energy: -23.373
where: short stacking energy: -23.373
Base-Backbone interact. energy: -0.085
local terms energy: -41.076599
where:
bonds (distance) C4'-P energy: -9.820
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -10.203
flat angles P-C4'-P energy: -5.059
tors. eta vs tors. theta energy: -1.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -64.521906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.521906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.521906 (E_RNA)
where:
Base-Base interactions energy: -25.012
where: short stacking energy: -17.131
Base-Backbone interact. energy: -0.157
local terms energy: -39.353337
where:
bonds (distance) C4'-P energy: -7.836
bonds (distance) P-C4' energy: -11.399
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -4.566
tors. eta vs tors. theta energy: -4.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -138.570695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.570695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.570695 (E_RNA)
where:
Base-Base interactions energy: -83.997
where: short stacking energy: -54.126
Base-Backbone interact. energy: -0.107
local terms energy: -54.466768
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -9.020
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -5.032
tors. eta vs tors. theta energy: -15.290
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: 7
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -134.759389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.759389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.759389 (E_RNA)
where:
Base-Base interactions energy: -82.429
where: short stacking energy: -46.850
Base-Backbone interact. energy: -0.001
local terms energy: -52.329403
where:
bonds (distance) C4'-P energy: -10.396
bonds (distance) P-C4' energy: -9.740
flat angles C4'-P-C4' energy: -10.703
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -12.991
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: 3, replica: 5
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -117.865761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.865761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.865761 (E_RNA)
where:
Base-Base interactions energy: -68.557
where: short stacking energy: -39.013
Base-Backbone interact. energy: -0.005
local terms energy: -49.304028
where:
bonds (distance) C4'-P energy: -10.598
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -5.623
tors. eta vs tors. theta energy: -8.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -102.334715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.334715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.334715 (E_RNA)
where:
Base-Base interactions energy: -54.339
where: short stacking energy: -44.072
Base-Backbone interact. energy: -0.011
local terms energy: -47.985198
where:
bonds (distance) C4'-P energy: -10.251
bonds (distance) P-C4' energy: -11.057
flat angles C4'-P-C4' energy: -10.939
flat angles P-C4'-P energy: -7.063
tors. eta vs tors. theta energy: -8.674
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: 8
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -99.715338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.715338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.715338 (E_RNA)
where:
Base-Base interactions energy: -56.768
where: short stacking energy: -29.791
Base-Backbone interact. energy: -0.054
local terms energy: -42.892802
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -9.371
flat angles P-C4'-P energy: -7.799
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: 6, replica: 4
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -80.409319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.409319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.409319 (E_RNA)
where:
Base-Base interactions energy: -32.222
where: short stacking energy: -32.222
Base-Backbone interact. energy: -0.005
local terms energy: -48.182825
where:
bonds (distance) C4'-P energy: -11.228
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -6.085
tors. eta vs tors. theta energy: -4.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -80.395113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.395113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.395113 (E_RNA)
where:
Base-Base interactions energy: -37.939
where: short stacking energy: -32.019
Base-Backbone interact. energy: -0.147
local terms energy: -42.308777
where:
bonds (distance) C4'-P energy: -9.133
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -8.381
flat angles P-C4'-P energy: -6.013
tors. eta vs tors. theta energy: -5.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -64.721294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.721294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.721294 (E_RNA)
where:
Base-Base interactions energy: -19.053
where: short stacking energy: -19.053
Base-Backbone interact. energy: -0.004
local terms energy: -45.664749
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -10.483
flat angles P-C4'-P energy: -5.987
tors. eta vs tors. theta energy: -3.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -56.281759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.281759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.281759 (E_RNA)
where:
Base-Base interactions energy: -23.058
where: short stacking energy: -18.626
Base-Backbone interact. energy: -0.144
local terms energy: -33.079274
where:
bonds (distance) C4'-P energy: -9.477
bonds (distance) P-C4' energy: -8.292
flat angles C4'-P-C4' energy: -10.129
flat angles P-C4'-P energy: -5.156
tors. eta vs tors. theta energy: -0.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -61.056014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.056014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.056014 (E_RNA)
where:
Base-Base interactions energy: -21.050
where: short stacking energy: -17.163
Base-Backbone interact. energy: -0.071
local terms energy: -39.934997
where:
bonds (distance) C4'-P energy: -8.557
bonds (distance) P-C4' energy: -10.443
flat angles C4'-P-C4' energy: -10.796
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -0.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -143.379203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.379203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.379203 (E_RNA)
where:
Base-Base interactions energy: -83.132
where: short stacking energy: -47.370
Base-Backbone interact. energy: -0.050
local terms energy: -60.197064
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -8.359
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: 2, replica: 7
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -137.084876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.084876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.084876 (E_RNA)
where:
Base-Base interactions energy: -78.749
where: short stacking energy: -44.980
Base-Backbone interact. energy: -0.002
local terms energy: -58.333865
where:
bonds (distance) C4'-P energy: -12.527
bonds (distance) P-C4' energy: -12.096
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -6.834
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: 3, replica: 5
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -127.521214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.521214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.521214 (E_RNA)
where:
Base-Base interactions energy: -75.915
where: short stacking energy: -42.548
Base-Backbone interact. energy: -0.004
local terms energy: -51.602229
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -9.746
flat angles C4'-P-C4' energy: -11.850
flat angles P-C4'-P energy: -5.289
tors. eta vs tors. theta energy: -12.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -84.488912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.488912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.488912 (E_RNA)
where:
Base-Base interactions energy: -33.864
where: short stacking energy: -33.864
Base-Backbone interact. energy: -0.006
local terms energy: -50.619375
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -10.555
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -7.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -85.537140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.537140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.537140 (E_RNA)
where:
Base-Base interactions energy: -36.636
where: short stacking energy: -36.636
Base-Backbone interact. energy: -0.068
local terms energy: -48.833695
where:
bonds (distance) C4'-P energy: -11.277
bonds (distance) P-C4' energy: -11.404
flat angles C4'-P-C4' energy: -11.575
flat angles P-C4'-P energy: -6.222
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: 6, replica: 4
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -85.938554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.938554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.938554 (E_RNA)
where:
Base-Base interactions energy: -38.998
where: short stacking energy: -38.998
Base-Backbone interact. energy: -0.012
local terms energy: -46.928387
where:
bonds (distance) C4'-P energy: -10.513
bonds (distance) P-C4' energy: -10.247
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -5.995
tors. eta vs tors. theta energy: -6.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -64.342940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.342940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.342940 (E_RNA)
where:
Base-Base interactions energy: -22.782
where: short stacking energy: -22.782
Base-Backbone interact. energy: -0.213
local terms energy: -41.348576
where:
bonds (distance) C4'-P energy: -9.737
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -9.516
flat angles P-C4'-P energy: -6.664
tors. eta vs tors. theta energy: -1.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -63.959680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.959680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.959680 (E_RNA)
where:
Base-Base interactions energy: -25.811
where: short stacking energy: -25.811
Base-Backbone interact. energy: -0.074
local terms energy: -38.074499
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -12.102
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -2.879
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: 9, replica: 2
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -78.265708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.265708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.265708 (E_RNA)
where:
Base-Base interactions energy: -31.876
where: short stacking energy: -21.011
Base-Backbone interact. energy: -0.001
local terms energy: -46.388389
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -11.448
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -4.045
tors. eta vs tors. theta energy: -6.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -62.645822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.645822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.645822 (E_RNA)
where:
Base-Base interactions energy: -27.113
where: short stacking energy: -22.311
Base-Backbone interact. energy: -0.097
local terms energy: -35.435869
where:
bonds (distance) C4'-P energy: -6.122
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -2.662
tors. eta vs tors. theta energy: -3.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -132.550640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.550640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.550640 (E_RNA)
where:
Base-Base interactions energy: -73.869
where: short stacking energy: -43.742
Base-Backbone interact. energy: -0.264
local terms energy: -58.417407
where:
bonds (distance) C4'-P energy: -8.897
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -12.016
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -13.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -131.567130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.567130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.567130 (E_RNA)
where:
Base-Base interactions energy: -75.508
where: short stacking energy: -46.456
Base-Backbone interact. energy: -0.085
local terms energy: -55.973350
where:
bonds (distance) C4'-P energy: -9.228
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -9.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -135.902093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.902093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.902093 (E_RNA)
where:
Base-Base interactions energy: -78.801
where: short stacking energy: -53.085
Base-Backbone interact. energy: -0.079
local terms energy: -57.022354
where:
bonds (distance) C4'-P energy: -9.659
bonds (distance) P-C4' energy: -11.612
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -6.049
tors. eta vs tors. theta energy: -16.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -87.436447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.436447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.436447 (E_RNA)
where:
Base-Base interactions energy: -38.117
where: short stacking energy: -36.444
Base-Backbone interact. energy: -0.107
local terms energy: -49.211998
where:
bonds (distance) C4'-P energy: -9.465
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -9.931
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -8.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -98.025779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.025779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.025779 (E_RNA)
where:
Base-Base interactions energy: -45.871
where: short stacking energy: -30.666
Base-Backbone interact. energy: -0.015
local terms energy: -52.140030
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -9.203
flat angles P-C4'-P energy: -10.372
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: 6, replica: 3
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -80.637263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.637263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.637263 (E_RNA)
where:
Base-Base interactions energy: -32.042
where: short stacking energy: -32.042
Base-Backbone interact. energy: -0.019
local terms energy: -48.576931
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -10.694
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -8.066
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: 7, replica: 4
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -78.621623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.621623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.621623 (E_RNA)
where:
Base-Base interactions energy: -31.117
where: short stacking energy: -31.917
Base-Backbone interact. energy: -0.075
local terms energy: -47.429252
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -10.838
flat angles P-C4'-P energy: -7.299
tors. eta vs tors. theta energy: -5.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -70.487648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.487648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.487648 (E_RNA)
where:
Base-Base interactions energy: -27.843
where: short stacking energy: -27.843
Base-Backbone interact. energy: -0.092
local terms energy: -42.552534
where:
bonds (distance) C4'-P energy: -10.379
bonds (distance) P-C4' energy: -11.549
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -0.720
tors. eta vs tors. theta energy: -8.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -63.612101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.612101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.612101 (E_RNA)
where:
Base-Base interactions energy: -17.433
where: short stacking energy: -17.433
Base-Backbone interact. energy: -0.115
local terms energy: -46.063691
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -9.739
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -4.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -74.193375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.193375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.193375 (E_RNA)
where:
Base-Base interactions energy: -31.012
where: short stacking energy: -31.012
Base-Backbone interact. energy: -0.001
local terms energy: -43.180798
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -7.231
flat angles C4'-P-C4' energy: -7.364
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -8.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -129.683689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.683689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.683689 (E_RNA)
where:
Base-Base interactions energy: -76.399
where: short stacking energy: -42.561
Base-Backbone interact. energy: -0.105
local terms energy: -53.179648
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -10.194
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -9.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -150.075327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.075327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.075327 (E_RNA)
where:
Base-Base interactions energy: -86.874
where: short stacking energy: -54.776
Base-Backbone interact. energy: -0.014
local terms energy: -63.187522
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -10.253
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: 7
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -139.231979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.231979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.231979 (E_RNA)
where:
Base-Base interactions energy: -82.643
where: short stacking energy: -51.836
Base-Backbone interact. energy: -0.009
local terms energy: -56.579999
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -8.768
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -14.805
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: 4, replica: 8
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -88.169211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.169211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.169211 (E_RNA)
where:
Base-Base interactions energy: -38.071
where: short stacking energy: -28.761
Base-Backbone interact. energy: -0.128
local terms energy: -49.969777
where:
bonds (distance) C4'-P energy: -9.579
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: -8.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -117.426949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.426949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.426949 (E_RNA)
where:
Base-Base interactions energy: -65.507
where: short stacking energy: -37.751
Base-Backbone interact. energy: -0.015
local terms energy: -51.904796
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -10.622
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: -9.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -73.064789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.064789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.064789 (E_RNA)
where:
Base-Base interactions energy: -23.851
where: short stacking energy: -23.851
Base-Backbone interact. energy: -0.094
local terms energy: -49.120225
where:
bonds (distance) C4'-P energy: -11.265
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -3.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -75.142243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.142243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.142243 (E_RNA)
where:
Base-Base interactions energy: -29.487
where: short stacking energy: -29.487
Base-Backbone interact. energy: -0.038
local terms energy: -45.617679
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -10.722
flat angles C4'-P-C4' energy: -10.331
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: -5.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -83.458971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.458971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.458971 (E_RNA)
where:
Base-Base interactions energy: -42.376
where: short stacking energy: -42.376
Base-Backbone interact. energy: -0.009
local terms energy: -41.074115
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -6.043
flat angles C4'-P-C4' energy: -11.662
flat angles P-C4'-P energy: -3.665
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: 9, replica: 1
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -62.038445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.038445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.038445 (E_RNA)
where:
Base-Base interactions energy: -22.116
where: short stacking energy: -19.766
Base-Backbone interact. energy: -0.077
local terms energy: -39.844768
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -9.763
flat angles P-C4'-P energy: -5.706
tors. eta vs tors. theta energy: 0.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -58.955348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.955348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.955348 (E_RNA)
where:
Base-Base interactions energy: -20.808
where: short stacking energy: -20.808
Base-Backbone interact. energy: -0.069
local terms energy: -38.078404
where:
bonds (distance) C4'-P energy: -10.631
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -7.778
flat angles P-C4'-P energy: -3.823
tors. eta vs tors. theta energy: -2.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -140.442213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.442213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.442213 (E_RNA)
where:
Base-Base interactions energy: -77.609
where: short stacking energy: -46.799
Base-Backbone interact. energy: -0.146
local terms energy: -62.687074
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -13.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -132.576426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.576426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.576426 (E_RNA)
where:
Base-Base interactions energy: -78.267
where: short stacking energy: -42.810
Base-Backbone interact. energy: -0.002
local terms energy: -54.308126
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -5.025
tors. eta vs tors. theta energy: -11.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -146.708570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.708570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.708570 (E_RNA)
where:
Base-Base interactions energy: -87.844
where: short stacking energy: -55.630
Base-Backbone interact. energy: -0.009
local terms energy: -58.855502
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -14.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -130.353220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.353220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.353220 (E_RNA)
where:
Base-Base interactions energy: -73.225
where: short stacking energy: -40.508
Base-Backbone interact. energy: -0.007
local terms energy: -57.120839
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -12.721
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -5.078
tors. eta vs tors. theta energy: -12.460
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: 8
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -84.588484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.588484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.588484 (E_RNA)
where:
Base-Base interactions energy: -39.302
where: short stacking energy: -39.302
Base-Backbone interact. energy: -0.005
local terms energy: -45.281428
where:
bonds (distance) C4'-P energy: -11.364
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -2.437
tors. eta vs tors. theta energy: -5.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -75.071940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.071940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.071940 (E_RNA)
where:
Base-Base interactions energy: -34.618
where: short stacking energy: -26.197
Base-Backbone interact. energy: -0.001
local terms energy: -40.452809
where:
bonds (distance) C4'-P energy: -10.523
bonds (distance) P-C4' energy: -11.406
flat angles C4'-P-C4' energy: -6.548
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -0.215
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: 3
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -69.751918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.751918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.751918 (E_RNA)
where:
Base-Base interactions energy: -23.796
where: short stacking energy: -23.796
Base-Backbone interact. energy: -0.238
local terms energy: -45.717156
where:
bonds (distance) C4'-P energy: -9.588
bonds (distance) P-C4' energy: -9.180
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -6.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -74.430535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.430535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.430535 (E_RNA)
where:
Base-Base interactions energy: -26.108
where: short stacking energy: -26.108
Base-Backbone interact. energy: 0.181
local terms energy: -48.503352
where:
bonds (distance) C4'-P energy: -12.714
bonds (distance) P-C4' energy: -11.687
flat angles C4'-P-C4' energy: -8.678
flat angles P-C4'-P energy: -6.653
tors. eta vs tors. theta energy: -8.772
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: 1
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -67.916474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.916474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.916474 (E_RNA)
where:
Base-Base interactions energy: -26.099
where: short stacking energy: -26.099
Base-Backbone interact. energy: -0.012
local terms energy: -41.805387
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -9.304
flat angles C4'-P-C4' energy: -7.947
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -4.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -57.580669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.580669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.580669 (E_RNA)
where:
Base-Base interactions energy: -25.399
where: short stacking energy: -25.399
Base-Backbone interact. energy: -0.079
local terms energy: -32.103268
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -10.980
flat angles C4'-P-C4' energy: -7.606
flat angles P-C4'-P energy: -3.523
tors. eta vs tors. theta energy: 2.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -151.436114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.436114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.436114 (E_RNA)
where:
Base-Base interactions energy: -90.682
where: short stacking energy: -56.828
Base-Backbone interact. energy: -0.067
local terms energy: -60.686785
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -12.223
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -7.283
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: 6
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -124.757752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.757752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.757752 (E_RNA)
where:
Base-Base interactions energy: -69.448
where: short stacking energy: -37.285
Base-Backbone interact. energy: -0.112
local terms energy: -55.198325
where:
bonds (distance) C4'-P energy: -9.754
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -12.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -138.756263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.756263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.756263 (E_RNA)
where:
Base-Base interactions energy: -81.277
where: short stacking energy: -44.594
Base-Backbone interact. energy: -0.070
local terms energy: -57.408943
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: -13.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -128.493916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.493916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.493916 (E_RNA)
where:
Base-Base interactions energy: -84.430
where: short stacking energy: -43.167
Base-Backbone interact. energy: -0.089
local terms energy: -43.974881
where:
bonds (distance) C4'-P energy: -10.179
bonds (distance) P-C4' energy: -9.390
flat angles C4'-P-C4' energy: -8.546
flat angles P-C4'-P energy: -4.062
tors. eta vs tors. theta energy: -11.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -88.759739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.759739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.759739 (E_RNA)
where:
Base-Base interactions energy: -36.628
where: short stacking energy: -36.628
Base-Backbone interact. energy: -0.236
local terms energy: -51.895712
where:
bonds (distance) C4'-P energy: -9.418
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -10.804
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: 6, replica: 8
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -92.881718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.881718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.881718 (E_RNA)
where:
Base-Base interactions energy: -47.584
where: short stacking energy: -38.855
Base-Backbone interact. energy: -0.000
local terms energy: -45.296885
where:
bonds (distance) C4'-P energy: -9.352
bonds (distance) P-C4' energy: -9.295
flat angles C4'-P-C4' energy: -9.087
flat angles P-C4'-P energy: -6.056
tors. eta vs tors. theta energy: -11.506
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: 4
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -75.806492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.806492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.806492 (E_RNA)
where:
Base-Base interactions energy: -26.625
where: short stacking energy: -25.196
Base-Backbone interact. energy: -0.169
local terms energy: -49.011720
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -10.642
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -7.205
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: 8, replica: 3
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -83.604751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.604751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.604751 (E_RNA)
where:
Base-Base interactions energy: -40.522
where: short stacking energy: -31.373
Base-Backbone interact. energy: 0.279
local terms energy: -43.361394
where:
bonds (distance) C4'-P energy: -6.607
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -10.140
flat angles P-C4'-P energy: -8.095
tors. eta vs tors. theta energy: -5.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -65.976047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.976047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.976047 (E_RNA)
where:
Base-Base interactions energy: -25.528
where: short stacking energy: -15.099
Base-Backbone interact. energy: -0.145
local terms energy: -40.302938
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: 3.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -61.669201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.669201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.669201 (E_RNA)
where:
Base-Base interactions energy: -24.157
where: short stacking energy: -23.667
Base-Backbone interact. energy: 0.991
local terms energy: -38.503406
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -9.598
flat angles P-C4'-P energy: -5.175
tors. eta vs tors. theta energy: -0.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -135.718710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.718710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.718710 (E_RNA)
where:
Base-Base interactions energy: -79.734
where: short stacking energy: -46.176
Base-Backbone interact. energy: -0.039
local terms energy: -55.945583
where:
bonds (distance) C4'-P energy: -11.476
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -10.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -129.848086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.848086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.848086 (E_RNA)
where:
Base-Base interactions energy: -77.317
where: short stacking energy: -43.199
Base-Backbone interact. energy: -0.020
local terms energy: -52.511533
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -10.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -123.983041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.983041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.983041 (E_RNA)
where:
Base-Base interactions energy: -65.993
where: short stacking energy: -40.306
Base-Backbone interact. energy: -0.000
local terms energy: -57.989859
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -8.933
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: -13.824
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: 10
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -125.416970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.416970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.416970 (E_RNA)
where:
Base-Base interactions energy: -70.871
where: short stacking energy: -39.079
Base-Backbone interact. energy: -0.134
local terms energy: -54.411927
where:
bonds (distance) C4'-P energy: -9.551
bonds (distance) P-C4' energy: -11.240
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -12.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -81.535128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.535128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.535128 (E_RNA)
where:
Base-Base interactions energy: -33.718
where: short stacking energy: -33.718
Base-Backbone interact. energy: -0.023
local terms energy: -47.794147
where:
bonds (distance) C4'-P energy: -9.808
bonds (distance) P-C4' energy: -11.059
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -6.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -74.806466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.806466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.806466 (E_RNA)
where:
Base-Base interactions energy: -30.737
where: short stacking energy: -30.737
Base-Backbone interact. energy: 0.085
local terms energy: -44.155070
where:
bonds (distance) C4'-P energy: -10.628
bonds (distance) P-C4' energy: -9.315
flat angles C4'-P-C4' energy: -9.860
flat angles P-C4'-P energy: -9.326
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: 7, replica: 8
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -71.541931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.541931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.541931 (E_RNA)
where:
Base-Base interactions energy: -27.382
where: short stacking energy: -27.382
Base-Backbone interact. energy: -0.297
local terms energy: -43.863693
where:
bonds (distance) C4'-P energy: -9.113
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -5.985
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: 8, replica: 9
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -68.164648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.164648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.164648 (E_RNA)
where:
Base-Base interactions energy: -27.357
where: short stacking energy: -16.668
Base-Backbone interact. energy: -0.367
local terms energy: -40.440998
where:
bonds (distance) C4'-P energy: -10.002
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -7.143
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: 1.111
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: 9, replica: 3
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -75.790456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.790456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.790456 (E_RNA)
where:
Base-Base interactions energy: -30.963
where: short stacking energy: -30.963
Base-Backbone interact. energy: -0.102
local terms energy: -44.725889
where:
bonds (distance) C4'-P energy: -10.901
bonds (distance) P-C4' energy: -7.642
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -6.202
tors. eta vs tors. theta energy: -8.077
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: 1
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -77.155844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.155844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.155844 (E_RNA)
where:
Base-Base interactions energy: -34.132
where: short stacking energy: -34.132
Base-Backbone interact. energy: 0.242
local terms energy: -43.266234
where:
bonds (distance) C4'-P energy: -8.140
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -7.038
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -7.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -137.553478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.553478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.553478 (E_RNA)
where:
Base-Base interactions energy: -85.108
where: short stacking energy: -50.104
Base-Backbone interact. energy: -0.143
local terms energy: -52.302469
where:
bonds (distance) C4'-P energy: -9.762
bonds (distance) P-C4' energy: -11.411
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -4.098
tors. eta vs tors. theta energy: -13.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -130.746609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.746609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.746609 (E_RNA)
where:
Base-Base interactions energy: -72.201
where: short stacking energy: -46.398
Base-Backbone interact. energy: -0.008
local terms energy: -58.537911
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -11.782
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -12.303
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: 6
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -125.024468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.024468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.024468 (E_RNA)
where:
Base-Base interactions energy: -70.195
where: short stacking energy: -37.740
Base-Backbone interact. energy: -0.046
local terms energy: -54.783337
where:
bonds (distance) C4'-P energy: -10.403
bonds (distance) P-C4' energy: -11.727
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -11.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -134.083272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.083272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.083272 (E_RNA)
where:
Base-Base interactions energy: -80.354
where: short stacking energy: -44.867
Base-Backbone interact. energy: -0.100
local terms energy: -53.629304
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -11.155
flat angles C4'-P-C4' energy: -10.771
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -10.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -76.870525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.870525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.870525 (E_RNA)
where:
Base-Base interactions energy: -36.096
where: short stacking energy: -32.889
Base-Backbone interact. energy: 2.428
local terms energy: -43.202120
where:
bonds (distance) C4'-P energy: -10.192
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -8.866
flat angles P-C4'-P energy: -6.526
tors. eta vs tors. theta energy: -3.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -75.993110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.993110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.993110 (E_RNA)
where:
Base-Base interactions energy: -26.194
where: short stacking energy: -26.194
Base-Backbone interact. energy: -0.773
local terms energy: -49.025907
where:
bonds (distance) C4'-P energy: -9.916
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -6.393
tors. eta vs tors. theta energy: -7.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -72.718971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.718971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.718971 (E_RNA)
where:
Base-Base interactions energy: -35.893
where: short stacking energy: -21.858
Base-Backbone interact. energy: 3.343
local terms energy: -40.168547
where:
bonds (distance) C4'-P energy: -10.354
bonds (distance) P-C4' energy: -9.859
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -6.818
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: 8, replica: 9
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -65.591337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.591337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.591337 (E_RNA)
where:
Base-Base interactions energy: -28.970
where: short stacking energy: -28.970
Base-Backbone interact. energy: -0.219
local terms energy: -36.402062
where:
bonds (distance) C4'-P energy: -8.967
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -6.253
flat angles P-C4'-P energy: -6.397
tors. eta vs tors. theta energy: -2.079
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: 1
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -61.968952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.968952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.968952 (E_RNA)
where:
Base-Base interactions energy: -19.187
where: short stacking energy: -19.187
Base-Backbone interact. energy: -0.165
local terms energy: -42.616741
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -5.456
tors. eta vs tors. theta energy: -0.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -65.952177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.952177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.952177 (E_RNA)
where:
Base-Base interactions energy: -26.146
where: short stacking energy: -26.099
Base-Backbone interact. energy: -0.104
local terms energy: -39.702536
where:
bonds (distance) C4'-P energy: -10.259
bonds (distance) P-C4' energy: -10.700
flat angles C4'-P-C4' energy: -6.851
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -4.594
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: 7
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -130.950263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.950263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.950263 (E_RNA)
where:
Base-Base interactions energy: -79.838
where: short stacking energy: -44.388
Base-Backbone interact. energy: -0.040
local terms energy: -51.071458
where:
bonds (distance) C4'-P energy: -9.853
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -5.696
tors. eta vs tors. theta energy: -11.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -134.218021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.218021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.218021 (E_RNA)
where:
Base-Base interactions energy: -73.643
where: short stacking energy: -46.565
Base-Backbone interact. energy: -0.003
local terms energy: -60.571444
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -11.854
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -15.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -132.035365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.035365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.035365 (E_RNA)
where:
Base-Base interactions energy: -78.125
where: short stacking energy: -49.063
Base-Backbone interact. energy: -0.002
local terms energy: -53.908096
where:
bonds (distance) C4'-P energy: -9.581
bonds (distance) P-C4' energy: -11.838
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -6.781
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: 4, replica: 2
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -83.583541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.583541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.583541 (E_RNA)
where:
Base-Base interactions energy: -32.469
where: short stacking energy: -27.795
Base-Backbone interact. energy: -0.009
local terms energy: -51.105276
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -12.255
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -7.928
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: 5, replica: 10
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -126.622934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.622934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.622934 (E_RNA)
where:
Base-Base interactions energy: -72.532
where: short stacking energy: -39.249
Base-Backbone interact. energy: -0.003
local terms energy: -54.087963
where:
bonds (distance) C4'-P energy: -10.184
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -10.067
flat angles P-C4'-P energy: -6.094
tors. eta vs tors. theta energy: -13.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -81.400420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.400420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.400420 (E_RNA)
where:
Base-Base interactions energy: -32.052
where: short stacking energy: -32.052
Base-Backbone interact. energy: -0.246
local terms energy: -49.102174
where:
bonds (distance) C4'-P energy: -11.046
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -11.472
flat angles P-C4'-P energy: -6.513
tors. eta vs tors. theta energy: -8.131
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: 8
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -76.486770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.486770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.486770 (E_RNA)
where:
Base-Base interactions energy: -35.872
where: short stacking energy: -31.247
Base-Backbone interact. energy: 1.225
local terms energy: -41.840051
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -10.408
flat angles C4'-P-C4' energy: -7.628
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -4.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -78.886782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.886782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.886782 (E_RNA)
where:
Base-Base interactions energy: -35.360
where: short stacking energy: -34.810
Base-Backbone interact. energy: 1.356
local terms energy: -44.882752
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -11.835
flat angles C4'-P-C4' energy: -8.280
flat angles P-C4'-P energy: -6.472
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: 9, replica: 9
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -67.684781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.684781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.684781 (E_RNA)
where:
Base-Base interactions energy: -21.306
where: short stacking energy: -21.306
Base-Backbone interact. energy: -1.229
local terms energy: -45.149867
where:
bonds (distance) C4'-P energy: -10.950
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -2.817
tors. eta vs tors. theta energy: -6.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -66.002816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.002816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.002816 (E_RNA)
where:
Base-Base interactions energy: -25.527
where: short stacking energy: -24.194
Base-Backbone interact. energy: -0.087
local terms energy: -40.389258
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -8.872
flat angles P-C4'-P energy: -5.824
tors. eta vs tors. theta energy: -5.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -142.677088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.677088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.677088 (E_RNA)
where:
Base-Base interactions energy: -88.377
where: short stacking energy: -52.392
Base-Backbone interact. energy: -0.012
local terms energy: -54.287788
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -11.203
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: 7
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -130.375801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.375801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.375801 (E_RNA)
where:
Base-Base interactions energy: -75.212
where: short stacking energy: -48.769
Base-Backbone interact. energy: -0.021
local terms energy: -55.142905
where:
bonds (distance) C4'-P energy: -8.968
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -9.408
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: 3, replica: 2
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -91.811832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.811832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.811832 (E_RNA)
where:
Base-Base interactions energy: -37.118
where: short stacking energy: -37.118
Base-Backbone interact. energy: -0.072
local terms energy: -54.620980
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -9.289
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: 4, replica: 5
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -131.922686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.922686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.922686 (E_RNA)
where:
Base-Base interactions energy: -74.110
where: short stacking energy: -42.540
Base-Backbone interact. energy: -0.128
local terms energy: -57.684002
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -12.391
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: 10
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -119.425607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.425607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.425607 (E_RNA)
where:
Base-Base interactions energy: -68.251
where: short stacking energy: -40.459
Base-Backbone interact. energy: -0.207
local terms energy: -50.967230
where:
bonds (distance) C4'-P energy: -11.646
bonds (distance) P-C4' energy: -11.265
flat angles C4'-P-C4' energy: -10.912
flat angles P-C4'-P energy: -6.729
tors. eta vs tors. theta energy: -10.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -104.200601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.200601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.200601 (E_RNA)
where:
Base-Base interactions energy: -63.694
where: short stacking energy: -35.617
Base-Backbone interact. energy: -0.208
local terms energy: -40.297673
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -10.333
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -1.386
tors. eta vs tors. theta energy: -4.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -72.062579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.062579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.062579 (E_RNA)
where:
Base-Base interactions energy: -29.175
where: short stacking energy: -23.979
Base-Backbone interact. energy: -0.001
local terms energy: -42.887177
where:
bonds (distance) C4'-P energy: -8.901
bonds (distance) P-C4' energy: -10.866
flat angles C4'-P-C4' energy: -9.622
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -5.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -78.212794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.212794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.212794 (E_RNA)
where:
Base-Base interactions energy: -30.024
where: short stacking energy: -30.424
Base-Backbone interact. energy: -0.001
local terms energy: -48.187750
where:
bonds (distance) C4'-P energy: -8.320
bonds (distance) P-C4' energy: -10.826
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -9.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -68.245031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.245031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.245031 (E_RNA)
where:
Base-Base interactions energy: -35.293
where: short stacking energy: -22.791
Base-Backbone interact. energy: -0.003
local terms energy: -32.948436
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -11.948
flat angles C4'-P-C4' energy: -7.066
flat angles P-C4'-P energy: 1.189
tors. eta vs tors. theta energy: -2.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -61.224110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.224110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.224110 (E_RNA)
where:
Base-Base interactions energy: -26.152
where: short stacking energy: -26.152
Base-Backbone interact. energy: -0.002
local terms energy: -35.069998
where:
bonds (distance) C4'-P energy: -5.709
bonds (distance) P-C4' energy: -10.907
flat angles C4'-P-C4' energy: -7.633
flat angles P-C4'-P energy: -4.575
tors. eta vs tors. theta energy: -6.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -144.164700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.164700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.164700 (E_RNA)
where:
Base-Base interactions energy: -86.311
where: short stacking energy: -56.538
Base-Backbone interact. energy: -0.002
local terms energy: -57.852013
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -6.626
tors. eta vs tors. theta energy: -12.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -108.878419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.878419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.878419 (E_RNA)
where:
Base-Base interactions energy: -50.353
where: short stacking energy: -50.353
Base-Backbone interact. energy: -0.001
local terms energy: -58.524207
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -9.912
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -13.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -126.487238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.487238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.487238 (E_RNA)
where:
Base-Base interactions energy: -81.443
where: short stacking energy: -43.636
Base-Backbone interact. energy: -0.039
local terms energy: -45.004350
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -8.064
flat angles C4'-P-C4' energy: -7.343
flat angles P-C4'-P energy: -4.195
tors. eta vs tors. theta energy: -14.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -120.301092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.301092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.301092 (E_RNA)
where:
Base-Base interactions energy: -69.676
where: short stacking energy: -41.992
Base-Backbone interact. energy: -0.375
local terms energy: -50.250429
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -9.914
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -9.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -118.157531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.157531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.157531 (E_RNA)
where:
Base-Base interactions energy: -68.627
where: short stacking energy: -37.703
Base-Backbone interact. energy: -0.146
local terms energy: -49.385139
where:
bonds (distance) C4'-P energy: -8.541
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -9.033
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -11.118
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: 4
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -105.111407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.111407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.111407 (E_RNA)
where:
Base-Base interactions energy: -54.691
where: short stacking energy: -29.980
Base-Backbone interact. energy: -0.009
local terms energy: -50.410918
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: -6.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -76.238543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.238543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.238543 (E_RNA)
where:
Base-Base interactions energy: -33.045
where: short stacking energy: -33.045
Base-Backbone interact. energy: -0.015
local terms energy: -43.178394
where:
bonds (distance) C4'-P energy: -10.114
bonds (distance) P-C4' energy: -10.810
flat angles C4'-P-C4' energy: -9.504
flat angles P-C4'-P energy: -5.301
tors. eta vs tors. theta energy: -7.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -85.337286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.337286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.337286 (E_RNA)
where:
Base-Base interactions energy: -32.427
where: short stacking energy: -32.427
Base-Backbone interact. energy: -0.008
local terms energy: -52.902366
where:
bonds (distance) C4'-P energy: -10.635
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -10.519
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -10.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -67.117840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.117840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.117840 (E_RNA)
where:
Base-Base interactions energy: -30.950
where: short stacking energy: -15.817
Base-Backbone interact. energy: -0.203
local terms energy: -35.964302
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -7.729
flat angles C4'-P-C4' energy: -10.598
flat angles P-C4'-P energy: -6.799
tors. eta vs tors. theta energy: 0.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -58.716523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.716523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.716523 (E_RNA)
where:
Base-Base interactions energy: -19.394
where: short stacking energy: -14.516
Base-Backbone interact. energy: -0.133
local terms energy: -39.190277
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -13.227
flat angles C4'-P-C4' energy: -9.061
flat angles P-C4'-P energy: -3.505
tors. eta vs tors. theta energy: -2.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -147.745210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.745210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.745210 (E_RNA)
where:
Base-Base interactions energy: -89.244
where: short stacking energy: -50.983
Base-Backbone interact. energy: -0.006
local terms energy: -58.495298
where:
bonds (distance) C4'-P energy: -9.174
bonds (distance) P-C4' energy: -12.307
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -10.540
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: 2, replica: 2
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -104.354032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.354032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.354032 (E_RNA)
where:
Base-Base interactions energy: -47.566
where: short stacking energy: -47.566
Base-Backbone interact. energy: -0.041
local terms energy: -56.746827
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -9.831
flat angles P-C4'-P energy: -8.791
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: 3, replica: 10
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -132.871333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.871333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.871333 (E_RNA)
where:
Base-Base interactions energy: -78.355
where: short stacking energy: -44.916
Base-Backbone interact. energy: -0.100
local terms energy: -54.416198
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -10.474
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: -11.572
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: 7
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -119.480393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.480393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.480393 (E_RNA)
where:
Base-Base interactions energy: -72.041
where: short stacking energy: -42.731
Base-Backbone interact. energy: -0.058
local terms energy: -47.381233
where:
bonds (distance) C4'-P energy: -10.387
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -11.700
flat angles P-C4'-P energy: -3.459
tors. eta vs tors. theta energy: -9.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -112.191599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.191599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.191599 (E_RNA)
where:
Base-Base interactions energy: -56.399
where: short stacking energy: -32.447
Base-Backbone interact. energy: -0.053
local terms energy: -55.739998
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -11.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -125.178749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.178749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.178749 (E_RNA)
where:
Base-Base interactions energy: -74.665
where: short stacking energy: -47.108
Base-Backbone interact. energy: -0.018
local terms energy: -50.495115
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -8.507
flat angles P-C4'-P energy: -5.836
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: 1
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -81.074621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.074621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.074621 (E_RNA)
where:
Base-Base interactions energy: -33.468
where: short stacking energy: -30.964
Base-Backbone interact. energy: -0.014
local terms energy: -47.592204
where:
bonds (distance) C4'-P energy: -8.441
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -4.056
tors. eta vs tors. theta energy: -9.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -64.262846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.262846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.262846 (E_RNA)
where:
Base-Base interactions energy: -25.192
where: short stacking energy: -22.669
Base-Backbone interact. energy: 0.122
local terms energy: -39.192974
where:
bonds (distance) C4'-P energy: -8.499
bonds (distance) P-C4' energy: -10.318
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -1.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -65.751833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.751833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.751833 (E_RNA)
where:
Base-Base interactions energy: -27.648
where: short stacking energy: -27.648
Base-Backbone interact. energy: -0.002
local terms energy: -38.101993
where:
bonds (distance) C4'-P energy: -9.018
bonds (distance) P-C4' energy: -9.513
flat angles C4'-P-C4' energy: -9.226
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -2.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -58.878682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.878682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.878682 (E_RNA)
where:
Base-Base interactions energy: -20.438
where: short stacking energy: -20.438
Base-Backbone interact. energy: -0.131
local terms energy: -38.309291
where:
bonds (distance) C4'-P energy: -8.630
bonds (distance) P-C4' energy: -11.634
flat angles C4'-P-C4' energy: -7.506
flat angles P-C4'-P energy: -4.557
tors. eta vs tors. theta energy: -5.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -136.499023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.499023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.499023 (E_RNA)
where:
Base-Base interactions energy: -82.233
where: short stacking energy: -48.742
Base-Backbone interact. energy: -0.147
local terms energy: -54.118332
where:
bonds (distance) C4'-P energy: -11.359
bonds (distance) P-C4' energy: -8.921
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -13.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -133.706424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.706424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.706424 (E_RNA)
where:
Base-Base interactions energy: -72.656
where: short stacking energy: -45.452
Base-Backbone interact. energy: -0.378
local terms energy: -60.672862
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -12.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -96.322169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.322169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.322169 (E_RNA)
where:
Base-Base interactions energy: -45.196
where: short stacking energy: -45.196
Base-Backbone interact. energy: -0.000
local terms energy: -51.126404
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -10.863
flat angles C4'-P-C4' energy: -10.961
flat angles P-C4'-P energy: -4.742
tors. eta vs tors. theta energy: -12.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -126.718569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.718569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.718569 (E_RNA)
where:
Base-Base interactions energy: -74.145
where: short stacking energy: -45.811
Base-Backbone interact. energy: -0.005
local terms energy: -52.568140
where:
bonds (distance) C4'-P energy: -10.120
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -8.323
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -14.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -107.154138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.154138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.154138 (E_RNA)
where:
Base-Base interactions energy: -61.123
where: short stacking energy: -35.330
Base-Backbone interact. energy: -0.146
local terms energy: -45.885169
where:
bonds (distance) C4'-P energy: -9.183
bonds (distance) P-C4' energy: -11.958
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -5.412
tors. eta vs tors. theta energy: -7.976
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: 6, replica: 1
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -74.248313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.248313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.248313 (E_RNA)
where:
Base-Base interactions energy: -37.487
where: short stacking energy: -24.329
Base-Backbone interact. energy: 0.101
local terms energy: -36.861884
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -7.449
flat angles C4'-P-C4' energy: -9.207
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: -2.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -96.496569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.496569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.496569 (E_RNA)
where:
Base-Base interactions energy: -54.974
where: short stacking energy: -27.777
Base-Backbone interact. energy: -0.156
local terms energy: -41.366783
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -6.166
flat angles C4'-P-C4' energy: -11.654
flat angles P-C4'-P energy: -4.486
tors. eta vs tors. theta energy: -8.210
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: 8, replica: 3
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -68.649755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.649755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.649755 (E_RNA)
where:
Base-Base interactions energy: -24.093
where: short stacking energy: -24.093
Base-Backbone interact. energy: -0.034
local terms energy: -44.521951
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -9.909
flat angles C4'-P-C4' energy: -11.273
flat angles P-C4'-P energy: -6.566
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: 9, replica: 9
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -70.450265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.450265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.450265 (E_RNA)
where:
Base-Base interactions energy: -29.685
where: short stacking energy: -29.198
Base-Backbone interact. energy: -0.091
local terms energy: -40.673994
where:
bonds (distance) C4'-P energy: -7.894
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -1.993
tors. eta vs tors. theta energy: -6.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -60.023815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.023815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.023815 (E_RNA)
where:
Base-Base interactions energy: -17.267
where: short stacking energy: -17.064
Base-Backbone interact. energy: -0.123
local terms energy: -42.634132
where:
bonds (distance) C4'-P energy: -11.053
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -6.743
flat angles P-C4'-P energy: -4.375
tors. eta vs tors. theta energy: -6.043
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: 10
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -150.600148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.600148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.600148 (E_RNA)
where:
Base-Base interactions energy: -95.670
where: short stacking energy: -56.925
Base-Backbone interact. energy: -0.008
local terms energy: -54.922299
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -5.467
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: 2, replica: 6
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -117.791690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.791690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.791690 (E_RNA)
where:
Base-Base interactions energy: -65.062
where: short stacking energy: -36.407
Base-Backbone interact. energy: -0.028
local terms energy: -52.701663
where:
bonds (distance) C4'-P energy: -13.334
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -5.884
tors. eta vs tors. theta energy: -7.403
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: 3, replica: 4
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -129.715249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.715249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.715249 (E_RNA)
where:
Base-Base interactions energy: -74.601
where: short stacking energy: -45.116
Base-Backbone interact. energy: 2.236
local terms energy: -57.350112
where:
bonds (distance) C4'-P energy: -11.120
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -11.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -107.075689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.075689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.075689 (E_RNA)
where:
Base-Base interactions energy: -49.877
where: short stacking energy: -49.877
Base-Backbone interact. energy: -0.078
local terms energy: -57.120509
where:
bonds (distance) C4'-P energy: -8.449
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -7.160
tors. eta vs tors. theta energy: -13.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -104.763843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.763843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.763843 (E_RNA)
where:
Base-Base interactions energy: -44.121
where: short stacking energy: -42.685
Base-Backbone interact. energy: -0.220
local terms energy: -60.422864
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -10.755
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -13.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -75.037340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.037340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.037340 (E_RNA)
where:
Base-Base interactions energy: -38.491
where: short stacking energy: -22.208
Base-Backbone interact. energy: -0.062
local terms energy: -36.484669
where:
bonds (distance) C4'-P energy: -7.792
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -7.914
flat angles P-C4'-P energy: -4.036
tors. eta vs tors. theta energy: -4.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -85.984997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.984997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.984997 (E_RNA)
where:
Base-Base interactions energy: -37.093
where: short stacking energy: -37.093
Base-Backbone interact. energy: -0.060
local terms energy: -48.832675
where:
bonds (distance) C4'-P energy: -10.005
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -9.366
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -9.614
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: 8, replica: 5
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -74.337937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.337937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.337937 (E_RNA)
where:
Base-Base interactions energy: -27.733
where: short stacking energy: -27.733
Base-Backbone interact. energy: -0.001
local terms energy: -46.603962
where:
bonds (distance) C4'-P energy: -10.627
bonds (distance) P-C4' energy: -8.578
flat angles C4'-P-C4' energy: -7.897
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: -12.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -67.079574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.079574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.079574 (E_RNA)
where:
Base-Base interactions energy: -25.777
where: short stacking energy: -21.498
Base-Backbone interact. energy: -0.067
local terms energy: -41.235792
where:
bonds (distance) C4'-P energy: -5.316
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -11.731
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -2.432
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: 9
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -68.055022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.055022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.055022 (E_RNA)
where:
Base-Base interactions energy: -22.106
where: short stacking energy: -22.106
Base-Backbone interact. energy: -0.004
local terms energy: -45.945095
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -9.157
flat angles C4'-P-C4' energy: -9.148
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -6.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -147.175765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.175765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.175765 (E_RNA)
where:
Base-Base interactions energy: -89.112
where: short stacking energy: -53.564
Base-Backbone interact. energy: -0.329
local terms energy: -57.735155
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -12.063
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: -14.665
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: 4
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -123.560104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.560104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.560104 (E_RNA)
where:
Base-Base interactions energy: -65.251
where: short stacking energy: -37.401
Base-Backbone interact. energy: -0.055
local terms energy: -58.254291
where:
bonds (distance) C4'-P energy: -12.718
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -9.017
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: 6
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -114.407476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.407476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.407476 (E_RNA)
where:
Base-Base interactions energy: -66.709
where: short stacking energy: -41.568
Base-Backbone interact. energy: -0.192
local terms energy: -47.506476
where:
bonds (distance) C4'-P energy: -7.353
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -10.377
flat angles P-C4'-P energy: -4.233
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: 4, replica: 2
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -89.177945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.177945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.177945 (E_RNA)
where:
Base-Base interactions energy: -37.796
where: short stacking energy: -37.796
Base-Backbone interact. energy: -0.134
local terms energy: -51.248104
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -11.664
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -7.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -87.111718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.111718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.111718 (E_RNA)
where:
Base-Base interactions energy: -29.873
where: short stacking energy: -29.873
Base-Backbone interact. energy: -0.087
local terms energy: -57.152109
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -10.319
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -11.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -84.767278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.767278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.767278 (E_RNA)
where:
Base-Base interactions energy: -38.644
where: short stacking energy: -38.644
Base-Backbone interact. energy: -0.010
local terms energy: -46.113582
where:
bonds (distance) C4'-P energy: -9.965
bonds (distance) P-C4' energy: -10.620
flat angles C4'-P-C4' energy: -9.685
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: -9.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -75.549065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.549065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.549065 (E_RNA)
where:
Base-Base interactions energy: -32.448
where: short stacking energy: -32.216
Base-Backbone interact. energy: 0.963
local terms energy: -44.063706
where:
bonds (distance) C4'-P energy: -8.476
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -7.956
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -7.855
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: 231
Temperature: 1.250000
Total energy: -89.895502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.895502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.895502 (E_RNA)
where:
Base-Base interactions energy: -39.885
where: short stacking energy: -39.885
Base-Backbone interact. energy: -0.009
local terms energy: -50.001659
where:
bonds (distance) C4'-P energy: -8.113
bonds (distance) P-C4' energy: -9.975
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -9.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -71.922135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.922135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.922135 (E_RNA)
where:
Base-Base interactions energy: -30.226
where: short stacking energy: -30.226
Base-Backbone interact. energy: -0.007
local terms energy: -41.688544
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -7.029
flat angles P-C4'-P energy: -2.415
tors. eta vs tors. theta energy: -6.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -68.788629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.788629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.788629 (E_RNA)
where:
Base-Base interactions energy: -30.918
where: short stacking energy: -30.918
Base-Backbone interact. energy: -0.306
local terms energy: -37.565282
where:
bonds (distance) C4'-P energy: -10.052
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -11.254
flat angles P-C4'-P energy: -2.471
tors. eta vs tors. theta energy: -0.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -139.468134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.468134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.468134 (E_RNA)
where:
Base-Base interactions energy: -81.557
where: short stacking energy: -53.671
Base-Backbone interact. energy: -0.001
local terms energy: -57.910842
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -12.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -142.011612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.011612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.011612 (E_RNA)
where:
Base-Base interactions energy: -84.076
where: short stacking energy: -54.609
Base-Backbone interact. energy: -0.013
local terms energy: -57.922050
where:
bonds (distance) C4'-P energy: -9.844
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -12.762
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: 6
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -128.774085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.774085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.774085 (E_RNA)
where:
Base-Base interactions energy: -72.301
where: short stacking energy: -43.253
Base-Backbone interact. energy: -0.012
local terms energy: -56.460712
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -6.550
tors. eta vs tors. theta energy: -11.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -90.444476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.444476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.444476 (E_RNA)
where:
Base-Base interactions energy: -42.888
where: short stacking energy: -42.888
Base-Backbone interact. energy: -0.057
local terms energy: -47.499018
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -9.029
flat angles C4'-P-C4' energy: -7.554
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -9.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -84.599219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.599219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.599219 (E_RNA)
where:
Base-Base interactions energy: -34.475
where: short stacking energy: -34.475
Base-Backbone interact. energy: -0.067
local terms energy: -50.056483
where:
bonds (distance) C4'-P energy: -9.328
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -6.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -74.723375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.723375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.723375 (E_RNA)
where:
Base-Base interactions energy: -31.186
where: short stacking energy: -31.186
Base-Backbone interact. energy: -0.080
local terms energy: -43.457870
where:
bonds (distance) C4'-P energy: -7.950
bonds (distance) P-C4' energy: -11.769
flat angles C4'-P-C4' energy: -10.655
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -5.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -76.783062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.783062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.783062 (E_RNA)
where:
Base-Base interactions energy: -32.921
where: short stacking energy: -32.729
Base-Backbone interact. energy: -0.068
local terms energy: -43.794382
where:
bonds (distance) C4'-P energy: -6.786
bonds (distance) P-C4' energy: -10.866
flat angles C4'-P-C4' energy: -9.807
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -8.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -79.582731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.582731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.582731 (E_RNA)
where:
Base-Base interactions energy: -34.314
where: short stacking energy: -34.064
Base-Backbone interact. energy: -0.162
local terms energy: -45.106808
where:
bonds (distance) C4'-P energy: -5.532
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -9.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -68.507795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.507795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.507795 (E_RNA)
where:
Base-Base interactions energy: -22.507
where: short stacking energy: -22.507
Base-Backbone interact. energy: -0.003
local terms energy: -45.997840
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -10.000
flat angles P-C4'-P energy: -4.574
tors. eta vs tors. theta energy: -6.322
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: 232
Temperature: 1.350000
Total energy: -68.821786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.821786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.821786 (E_RNA)
where:
Base-Base interactions energy: -25.757
where: short stacking energy: -25.757
Base-Backbone interact. energy: -0.003
local terms energy: -43.061310
where:
bonds (distance) C4'-P energy: -7.998
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -3.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -127.421300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.421300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.421300 (E_RNA)
where:
Base-Base interactions energy: -79.271
where: short stacking energy: -46.336
Base-Backbone interact. energy: -0.278
local terms energy: -47.872892
where:
bonds (distance) C4'-P energy: -10.387
bonds (distance) P-C4' energy: -10.430
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -5.852
tors. eta vs tors. theta energy: -9.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -126.999645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.999645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.999645 (E_RNA)
where:
Base-Base interactions energy: -71.191
where: short stacking energy: -45.221
Base-Backbone interact. energy: -0.040
local terms energy: -55.768810
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -6.262
tors. eta vs tors. theta energy: -11.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -125.169571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.169571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.169571 (E_RNA)
where:
Base-Base interactions energy: -74.453
where: short stacking energy: -44.932
Base-Backbone interact. energy: -0.013
local terms energy: -50.703730
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -10.537
flat angles C4'-P-C4' energy: -9.292
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: -11.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -92.280639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.280639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.280639 (E_RNA)
where:
Base-Base interactions energy: -42.532
where: short stacking energy: -35.241
Base-Backbone interact. energy: -0.318
local terms energy: -49.431129
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -10.454
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -5.335
tors. eta vs tors. theta energy: -9.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -89.556940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.556940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.556940 (E_RNA)
where:
Base-Base interactions energy: -43.274
where: short stacking energy: -38.346
Base-Backbone interact. energy: -0.960
local terms energy: -45.322258
where:
bonds (distance) C4'-P energy: -7.667
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -6.600
flat angles P-C4'-P energy: -9.015
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: 6, replica: 5
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -69.695122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.695122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.695122 (E_RNA)
where:
Base-Base interactions energy: -30.157
where: short stacking energy: -30.157
Base-Backbone interact. energy: -0.136
local terms energy: -39.402922
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -11.054
flat angles C4'-P-C4' energy: -10.816
flat angles P-C4'-P energy: 0.410
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: 7, replica: 3
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -64.041644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.041644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.041644 (E_RNA)
where:
Base-Base interactions energy: -21.736
where: short stacking energy: -21.736
Base-Backbone interact. energy: -0.001
local terms energy: -42.304518
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -8.747
flat angles P-C4'-P energy: -6.039
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: 8, replica: 1
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -71.376066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.376066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.376066 (E_RNA)
where:
Base-Base interactions energy: -28.981
where: short stacking energy: -27.808
Base-Backbone interact. energy: 0.181
local terms energy: -42.576179
where:
bonds (distance) C4'-P energy: -6.674
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -3.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -70.475198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.475198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.475198 (E_RNA)
where:
Base-Base interactions energy: -24.083
where: short stacking energy: -15.482
Base-Backbone interact. energy: -0.228
local terms energy: -46.164716
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -4.511
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: 233
Temperature: 1.350000
Total energy: -70.416883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.416883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.416883 (E_RNA)
where:
Base-Base interactions energy: -23.891
where: short stacking energy: -23.891
Base-Backbone interact. energy: 0.646
local terms energy: -47.172057
where:
bonds (distance) C4'-P energy: -10.466
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -10.528
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -3.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -148.212574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.212574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.212574 (E_RNA)
where:
Base-Base interactions energy: -87.497
where: short stacking energy: -56.282
Base-Backbone interact. energy: -0.140
local terms energy: -60.574736
where:
bonds (distance) C4'-P energy: -12.391
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -14.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -129.167026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.167026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.167026 (E_RNA)
where:
Base-Base interactions energy: -76.796
where: short stacking energy: -44.421
Base-Backbone interact. energy: -0.043
local terms energy: -52.327533
where:
bonds (distance) C4'-P energy: -14.187
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -10.347
flat angles P-C4'-P energy: -4.127
tors. eta vs tors. theta energy: -11.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -118.541606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.541606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.541606 (E_RNA)
where:
Base-Base interactions energy: -66.659
where: short stacking energy: -38.507
Base-Backbone interact. energy: 0.027
local terms energy: -51.910140
where:
bonds (distance) C4'-P energy: -8.612
bonds (distance) P-C4' energy: -14.485
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -7.142
tors. eta vs tors. theta energy: -9.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -93.871431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.871431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.871431 (E_RNA)
where:
Base-Base interactions energy: -39.238
where: short stacking energy: -36.224
Base-Backbone interact. energy: -0.017
local terms energy: -54.616326
where:
bonds (distance) C4'-P energy: -10.913
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -8.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -87.000831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.000831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.000831 (E_RNA)
where:
Base-Base interactions energy: -30.437
where: short stacking energy: -30.437
Base-Backbone interact. energy: -0.162
local terms energy: -56.401319
where:
bonds (distance) C4'-P energy: -12.436
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -11.490
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -9.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -80.751944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.751944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.751944 (E_RNA)
where:
Base-Base interactions energy: -32.835
where: short stacking energy: -28.835
Base-Backbone interact. energy: 0.252
local terms energy: -48.169196
where:
bonds (distance) C4'-P energy: -10.388
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -10.624
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -7.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -75.549101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.549101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.549101 (E_RNA)
where:
Base-Base interactions energy: -27.341
where: short stacking energy: -27.341
Base-Backbone interact. energy: -0.040
local terms energy: -48.167399
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -7.720
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -7.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -69.008242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.008242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.008242 (E_RNA)
where:
Base-Base interactions energy: -31.252
where: short stacking energy: -23.147
Base-Backbone interact. energy: -0.118
local terms energy: -37.638903
where:
bonds (distance) C4'-P energy: -6.888
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: 0.659
tors. eta vs tors. theta energy: -5.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -69.011752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.011752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.011752 (E_RNA)
where:
Base-Base interactions energy: -34.985
where: short stacking energy: -34.985
Base-Backbone interact. energy: -0.061
local terms energy: -33.964873
where:
bonds (distance) C4'-P energy: -0.024
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -2.700
tors. eta vs tors. theta energy: -6.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -56.715214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.715214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.715214 (E_RNA)
where:
Base-Base interactions energy: -13.324
where: short stacking energy: -13.324
Base-Backbone interact. energy: 0.124
local terms energy: -43.514746
where:
bonds (distance) C4'-P energy: -9.584
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: 0.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -142.129244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.129244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.129244 (E_RNA)
where:
Base-Base interactions energy: -81.515
where: short stacking energy: -49.906
Base-Backbone interact. energy: -0.005
local terms energy: -60.609936
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -12.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -120.793514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.793514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.793514 (E_RNA)
where:
Base-Base interactions energy: -69.837
where: short stacking energy: -37.605
Base-Backbone interact. energy: -0.008
local terms energy: -50.949367
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -9.451
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -6.670
tors. eta vs tors. theta energy: -8.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -127.027758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.027758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.027758 (E_RNA)
where:
Base-Base interactions energy: -68.444
where: short stacking energy: -44.359
Base-Backbone interact. energy: -0.037
local terms energy: -58.546368
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -13.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -93.235547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.235547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.235547 (E_RNA)
where:
Base-Base interactions energy: -39.487
where: short stacking energy: -38.624
Base-Backbone interact. energy: -0.004
local terms energy: -53.744388
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -6.836
tors. eta vs tors. theta energy: -9.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -86.384833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.384833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.384833 (E_RNA)
where:
Base-Base interactions energy: -37.294
where: short stacking energy: -37.294
Base-Backbone interact. energy: -0.010
local terms energy: -49.081256
where:
bonds (distance) C4'-P energy: -10.503
bonds (distance) P-C4' energy: -9.708
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -7.167
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: 6, replica: 1
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -87.698155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.698155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.698155 (E_RNA)
where:
Base-Base interactions energy: -34.282
where: short stacking energy: -34.321
Base-Backbone interact. energy: -0.329
local terms energy: -53.087132
where:
bonds (distance) C4'-P energy: -13.037
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -11.919
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -7.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -73.967707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.967707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.967707 (E_RNA)
where:
Base-Base interactions energy: -28.991
where: short stacking energy: -28.991
Base-Backbone interact. energy: -0.035
local terms energy: -44.942570
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -10.147
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -5.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -68.022625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.022625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.022625 (E_RNA)
where:
Base-Base interactions energy: -25.089
where: short stacking energy: -25.089
Base-Backbone interact. energy: -0.078
local terms energy: -42.855623
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -11.476
flat angles C4'-P-C4' energy: -9.102
flat angles P-C4'-P energy: -5.275
tors. eta vs tors. theta energy: -6.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -76.243111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.243111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.243111 (E_RNA)
where:
Base-Base interactions energy: -46.386
where: short stacking energy: -36.462
Base-Backbone interact. energy: -0.128
local terms energy: -29.729730
where:
bonds (distance) C4'-P energy: -9.763
bonds (distance) P-C4' energy: -3.561
flat angles C4'-P-C4' energy: -7.596
flat angles P-C4'-P energy: -2.435
tors. eta vs tors. theta energy: -6.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -59.298834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.298834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.298834 (E_RNA)
where:
Base-Base interactions energy: -24.191
where: short stacking energy: -17.947
Base-Backbone interact. energy: -0.060
local terms energy: -35.048174
where:
bonds (distance) C4'-P energy: -7.662
bonds (distance) P-C4' energy: -9.436
flat angles C4'-P-C4' energy: -8.513
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -0.715
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: 1, replica: 4
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -141.747967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.747967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.747967 (E_RNA)
where:
Base-Base interactions energy: -85.781
where: short stacking energy: -51.791
Base-Backbone interact. energy: -0.023
local terms energy: -55.943952
where:
bonds (distance) C4'-P energy: -9.400
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -6.488
tors. eta vs tors. theta energy: -13.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -118.440132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.440132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.440132 (E_RNA)
where:
Base-Base interactions energy: -64.462
where: short stacking energy: -32.084
Base-Backbone interact. energy: -0.089
local terms energy: -53.889945
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -7.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -96.251324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.251324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.251324 (E_RNA)
where:
Base-Base interactions energy: -44.246
where: short stacking energy: -32.258
Base-Backbone interact. energy: -0.138
local terms energy: -51.867590
where:
bonds (distance) C4'-P energy: -11.699
bonds (distance) P-C4' energy: -8.657
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -9.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -104.321660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.321660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.321660 (E_RNA)
where:
Base-Base interactions energy: -59.750
where: short stacking energy: -29.346
Base-Backbone interact. energy: 0.114
local terms energy: -44.685840
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -10.491
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: -3.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -85.913261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.913261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.913261 (E_RNA)
where:
Base-Base interactions energy: -32.783
where: short stacking energy: -32.783
Base-Backbone interact. energy: -0.099
local terms energy: -53.031278
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -9.874
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -10.175
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: 1
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -90.034980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.034980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.034980 (E_RNA)
where:
Base-Base interactions energy: -37.828
where: short stacking energy: -37.828
Base-Backbone interact. energy: -0.001
local terms energy: -52.206172
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -10.779
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -8.824
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: 7, replica: 7
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -75.674262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.674262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.674262 (E_RNA)
where:
Base-Base interactions energy: -34.022
where: short stacking energy: -25.053
Base-Backbone interact. energy: 2.110
local terms energy: -43.762027
where:
bonds (distance) C4'-P energy: -9.796
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -9.214
flat angles P-C4'-P energy: -4.612
tors. eta vs tors. theta energy: -6.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -71.970114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.970114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.970114 (E_RNA)
where:
Base-Base interactions energy: -25.946
where: short stacking energy: -25.946
Base-Backbone interact. energy: -0.101
local terms energy: -45.923060
where:
bonds (distance) C4'-P energy: -10.582
bonds (distance) P-C4' energy: -9.187
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -7.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -61.526109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.526109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.526109 (E_RNA)
where:
Base-Base interactions energy: -23.065
where: short stacking energy: -21.960
Base-Backbone interact. energy: -0.247
local terms energy: -38.214471
where:
bonds (distance) C4'-P energy: -10.180
bonds (distance) P-C4' energy: -7.029
flat angles C4'-P-C4' energy: -8.151
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -3.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -63.982355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.982355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.982355 (E_RNA)
where:
Base-Base interactions energy: -22.534
where: short stacking energy: -18.728
Base-Backbone interact. energy: -0.067
local terms energy: -41.381592
where:
bonds (distance) C4'-P energy: -9.365
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -9.169
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -1.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -125.051997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.051997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.051997 (E_RNA)
where:
Base-Base interactions energy: -70.497
where: short stacking energy: -37.306
Base-Backbone interact. energy: -0.000
local terms energy: -54.554493
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -11.842
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: -9.496
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: 10
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -136.105030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.105030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.105030 (E_RNA)
where:
Base-Base interactions energy: -81.444
where: short stacking energy: -48.248
Base-Backbone interact. energy: -0.047
local terms energy: -54.613220
where:
bonds (distance) C4'-P energy: -10.391
bonds (distance) P-C4' energy: -10.746
flat angles C4'-P-C4' energy: -11.008
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -13.513
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: 2
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -93.136128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.136128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.136128 (E_RNA)
where:
Base-Base interactions energy: -44.186
where: short stacking energy: -43.736
Base-Backbone interact. energy: -0.121
local terms energy: -48.829285
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -6.259
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -9.630
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: 5
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -91.256935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.256935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.256935 (E_RNA)
where:
Base-Base interactions energy: -36.740
where: short stacking energy: -35.880
Base-Backbone interact. energy: -0.061
local terms energy: -54.456394
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -9.817
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -11.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -80.992367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.992367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.992367 (E_RNA)
where:
Base-Base interactions energy: -38.834
where: short stacking energy: -38.834
Base-Backbone interact. energy: -0.012
local terms energy: -42.146420
where:
bonds (distance) C4'-P energy: -8.707
bonds (distance) P-C4' energy: -10.473
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -5.026
tors. eta vs tors. theta energy: -5.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -83.629380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.629380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.629380 (E_RNA)
where:
Base-Base interactions energy: -31.803
where: short stacking energy: -31.803
Base-Backbone interact. energy: -0.134
local terms energy: -51.692314
where:
bonds (distance) C4'-P energy: -10.867
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -10.664
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -9.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -81.295219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.295219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.295219 (E_RNA)
where:
Base-Base interactions energy: -41.700
where: short stacking energy: -22.075
Base-Backbone interact. energy: -0.241
local terms energy: -39.353659
where:
bonds (distance) C4'-P energy: -10.917
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -10.767
flat angles P-C4'-P energy: -3.985
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: 8, replica: 3
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -65.322215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.322215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.322215 (E_RNA)
where:
Base-Base interactions energy: -24.475
where: short stacking energy: -24.754
Base-Backbone interact. energy: -0.116
local terms energy: -40.730384
where:
bonds (distance) C4'-P energy: -9.633
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -9.089
flat angles P-C4'-P energy: -6.650
tors. eta vs tors. theta energy: -2.777
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: 8
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -77.752785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.752785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.752785 (E_RNA)
where:
Base-Base interactions energy: -30.628
where: short stacking energy: -30.628
Base-Backbone interact. energy: -0.127
local terms energy: -46.997886
where:
bonds (distance) C4'-P energy: -10.470
bonds (distance) P-C4' energy: -10.015
flat angles C4'-P-C4' energy: -11.012
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -9.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -73.199030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.199030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.199030 (E_RNA)
where:
Base-Base interactions energy: -26.551
where: short stacking energy: -26.551
Base-Backbone interact. energy: -0.036
local terms energy: -46.612861
where:
bonds (distance) C4'-P energy: -7.891
bonds (distance) P-C4' energy: -10.451
flat angles C4'-P-C4' energy: -11.107
flat angles P-C4'-P energy: -4.873
tors. eta vs tors. theta energy: -12.291
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: 1, replica: 10
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -143.279837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.279837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.279837 (E_RNA)
where:
Base-Base interactions energy: -84.341
where: short stacking energy: -51.419
Base-Backbone interact. energy: -0.011
local terms energy: -58.927806
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -9.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -129.342569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.342569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.342569 (E_RNA)
where:
Base-Base interactions energy: -73.796
where: short stacking energy: -45.979
Base-Backbone interact. energy: 0.316
local terms energy: -55.862460
where:
bonds (distance) C4'-P energy: -7.386
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -13.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -99.706283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.706283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.706283 (E_RNA)
where:
Base-Base interactions energy: -46.355
where: short stacking energy: -35.850
Base-Backbone interact. energy: -0.076
local terms energy: -53.275938
where:
bonds (distance) C4'-P energy: -11.214
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -7.744
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: 4, replica: 5
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -87.143277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.143277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.143277 (E_RNA)
where:
Base-Base interactions energy: -40.215
where: short stacking energy: -40.215
Base-Backbone interact. energy: -0.122
local terms energy: -46.806660
where:
bonds (distance) C4'-P energy: -9.418
bonds (distance) P-C4' energy: -13.137
flat angles C4'-P-C4' energy: -6.950
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -9.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -80.809536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.809536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.809536 (E_RNA)
where:
Base-Base interactions energy: -29.647
where: short stacking energy: -29.647
Base-Backbone interact. energy: -1.404
local terms energy: -49.758235
where:
bonds (distance) C4'-P energy: -8.877
bonds (distance) P-C4' energy: -12.129
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -7.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -82.007791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.007791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.007791 (E_RNA)
where:
Base-Base interactions energy: -28.876
where: short stacking energy: -28.876
Base-Backbone interact. energy: -0.348
local terms energy: -52.783235
where:
bonds (distance) C4'-P energy: -9.402
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -7.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -72.345677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.345677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.345677 (E_RNA)
where:
Base-Base interactions energy: -26.807
where: short stacking energy: -26.807
Base-Backbone interact. energy: -0.008
local terms energy: -45.531036
where:
bonds (distance) C4'-P energy: -6.739
bonds (distance) P-C4' energy: -10.161
flat angles C4'-P-C4' energy: -12.019
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -7.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -79.087750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.087750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.087750 (E_RNA)
where:
Base-Base interactions energy: -46.671
where: short stacking energy: -29.700
Base-Backbone interact. energy: -0.284
local terms energy: -32.132888
where:
bonds (distance) C4'-P energy: -10.991
bonds (distance) P-C4' energy: -10.362
flat angles C4'-P-C4' energy: -6.733
flat angles P-C4'-P energy: -3.118
tors. eta vs tors. theta energy: -0.928
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: 9
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -67.402400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.402400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.402400 (E_RNA)
where:
Base-Base interactions energy: -28.205
where: short stacking energy: -18.551
Base-Backbone interact. energy: -0.102
local terms energy: -39.095305
where:
bonds (distance) C4'-P energy: -7.423
bonds (distance) P-C4' energy: -11.307
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -10.111
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: 238
Temperature: 1.350000
Total energy: -62.607023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.607023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.607023 (E_RNA)
where:
Base-Base interactions energy: -28.514
where: short stacking energy: -28.514
Base-Backbone interact. energy: -0.156
local terms energy: -33.936825
where:
bonds (distance) C4'-P energy: -7.618
bonds (distance) P-C4' energy: -8.990
flat angles C4'-P-C4' energy: -10.450
flat angles P-C4'-P energy: -2.353
tors. eta vs tors. theta energy: -4.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -128.565883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.565883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.565883 (E_RNA)
where:
Base-Base interactions energy: -75.164
where: short stacking energy: -43.955
Base-Backbone interact. energy: -0.107
local terms energy: -53.295432
where:
bonds (distance) C4'-P energy: -11.906
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -9.607
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -10.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -95.489442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.489442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.489442 (E_RNA)
where:
Base-Base interactions energy: -47.364
where: short stacking energy: -41.303
Base-Backbone interact. energy: -0.027
local terms energy: -48.097885
where:
bonds (distance) C4'-P energy: -10.921
bonds (distance) P-C4' energy: -10.534
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -3.154
tors. eta vs tors. theta energy: -11.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -119.267007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.267007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.267007 (E_RNA)
where:
Base-Base interactions energy: -67.506
where: short stacking energy: -34.003
Base-Backbone interact. energy: -0.069
local terms energy: -51.692094
where:
bonds (distance) C4'-P energy: -9.699
bonds (distance) P-C4' energy: -10.753
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -9.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -84.616291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.616291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.616291 (E_RNA)
where:
Base-Base interactions energy: -34.066
where: short stacking energy: -34.066
Base-Backbone interact. energy: -0.014
local terms energy: -50.536490
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -7.389
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: 5, replica: 5
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -75.309187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.309187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.309187 (E_RNA)
where:
Base-Base interactions energy: -33.109
where: short stacking energy: -22.439
Base-Backbone interact. energy: -0.004
local terms energy: -42.196912
where:
bonds (distance) C4'-P energy: -12.225
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -7.913
flat angles P-C4'-P energy: -4.346
tors. eta vs tors. theta energy: -4.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -75.007213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.007213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.007213 (E_RNA)
where:
Base-Base interactions energy: -32.213
where: short stacking energy: -28.854
Base-Backbone interact. energy: -0.005
local terms energy: -42.789641
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -7.506
flat angles P-C4'-P energy: -3.100
tors. eta vs tors. theta energy: -6.462
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: 7, replica: 6
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -77.649999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.649999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.649999 (E_RNA)
where:
Base-Base interactions energy: -29.771
where: short stacking energy: -29.771
Base-Backbone interact. energy: -0.018
local terms energy: -47.860558
where:
bonds (distance) C4'-P energy: -8.458
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -10.410
flat angles P-C4'-P energy: -4.995
tors. eta vs tors. theta energy: -10.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -65.900970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.900970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.900970 (E_RNA)
where:
Base-Base interactions energy: -27.713
where: short stacking energy: -27.713
Base-Backbone interact. energy: -0.130
local terms energy: -38.058261
where:
bonds (distance) C4'-P energy: -9.542
bonds (distance) P-C4' energy: -11.675
flat angles C4'-P-C4' energy: -9.769
flat angles P-C4'-P energy: -4.840
tors. eta vs tors. theta energy: -2.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -62.159850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.159850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.159850 (E_RNA)
where:
Base-Base interactions energy: -18.068
where: short stacking energy: -17.679
Base-Backbone interact. energy: -0.227
local terms energy: -43.864456
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -10.025
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -0.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -58.267292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.267292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.267292 (E_RNA)
where:
Base-Base interactions energy: -19.510
where: short stacking energy: -19.510
Base-Backbone interact. energy: -0.076
local terms energy: -38.680991
where:
bonds (distance) C4'-P energy: -10.855
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -8.018
flat angles P-C4'-P energy: -1.780
tors. eta vs tors. theta energy: -4.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -146.393005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.393005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.393005 (E_RNA)
where:
Base-Base interactions energy: -87.348
where: short stacking energy: -53.447
Base-Backbone interact. energy: -0.037
local terms energy: -59.007943
where:
bonds (distance) C4'-P energy: -10.730
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -14.986
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: 2
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -103.436983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.436983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.436983 (E_RNA)
where:
Base-Base interactions energy: -47.366
where: short stacking energy: -47.366
Base-Backbone interact. energy: -0.040
local terms energy: -56.031007
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -7.081
tors. eta vs tors. theta energy: -9.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -113.095680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.095680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.095680 (E_RNA)
where:
Base-Base interactions energy: -60.246
where: short stacking energy: -36.301
Base-Backbone interact. energy: -0.069
local terms energy: -52.780638
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -10.193
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -5.800
tors. eta vs tors. theta energy: -11.027
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: 7
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -87.121715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.121715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.121715 (E_RNA)
where:
Base-Base interactions energy: -40.028
where: short stacking energy: -40.028
Base-Backbone interact. energy: -0.011
local terms energy: -47.082135
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -8.776
flat angles C4'-P-C4' energy: -9.302
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -9.643
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: 3
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -90.053547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.053547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.053547 (E_RNA)
where:
Base-Base interactions energy: -39.254
where: short stacking energy: -33.459
Base-Backbone interact. energy: -0.002
local terms energy: -50.797198
where:
bonds (distance) C4'-P energy: -12.399
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -11.380
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -6.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -77.834776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.834776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.834776 (E_RNA)
where:
Base-Base interactions energy: -30.833
where: short stacking energy: -26.981
Base-Backbone interact. energy: -0.046
local terms energy: -46.956036
where:
bonds (distance) C4'-P energy: -10.806
bonds (distance) P-C4' energy: -11.347
flat angles C4'-P-C4' energy: -10.653
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -6.912
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: 9
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -71.097198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.097198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.097198 (E_RNA)
where:
Base-Base interactions energy: -27.389
where: short stacking energy: -27.389
Base-Backbone interact. energy: 0.687
local terms energy: -44.395265
where:
bonds (distance) C4'-P energy: -9.799
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -10.985
flat angles P-C4'-P energy: -7.326
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: 8, replica: 6
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -60.630439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.630439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.630439 (E_RNA)
where:
Base-Base interactions energy: -19.930
where: short stacking energy: -19.447
Base-Backbone interact. energy: -0.267
local terms energy: -40.433911
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -9.401
flat angles C4'-P-C4' energy: -8.100
flat angles P-C4'-P energy: -4.963
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: 9, replica: 8
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -72.731021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.731021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.731021 (E_RNA)
where:
Base-Base interactions energy: -29.984
where: short stacking energy: -29.984
Base-Backbone interact. energy: -0.005
local terms energy: -42.741310
where:
bonds (distance) C4'-P energy: -9.468
bonds (distance) P-C4' energy: -11.765
flat angles C4'-P-C4' energy: -10.579
flat angles P-C4'-P energy: -3.456
tors. eta vs tors. theta energy: -7.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -65.076281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.076281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.076281 (E_RNA)
where:
Base-Base interactions energy: -23.947
where: short stacking energy: -23.947
Base-Backbone interact. energy: -0.156
local terms energy: -40.974061
where:
bonds (distance) C4'-P energy: -9.452
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: 1.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -141.996190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.996190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.996190 (E_RNA)
where:
Base-Base interactions energy: -80.302
where: short stacking energy: -55.408
Base-Backbone interact. energy: -0.001
local terms energy: -61.692589
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -7.609
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: 2, replica: 4
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -131.131274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.131274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.131274 (E_RNA)
where:
Base-Base interactions energy: -76.415
where: short stacking energy: -46.028
Base-Backbone interact. energy: 0.468
local terms energy: -55.184224
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -9.985
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -11.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -94.421326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.421326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.421326 (E_RNA)
where:
Base-Base interactions energy: -46.136
where: short stacking energy: -31.030
Base-Backbone interact. energy: -0.074
local terms energy: -48.211306
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -10.964
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -6.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -77.484657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.484657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.484657 (E_RNA)
where:
Base-Base interactions energy: -30.566
where: short stacking energy: -30.566
Base-Backbone interact. energy: -0.157
local terms energy: -46.761723
where:
bonds (distance) C4'-P energy: -9.215
bonds (distance) P-C4' energy: -10.900
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -9.237
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: 5, replica: 7
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -87.304377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.304377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.304377 (E_RNA)
where:
Base-Base interactions energy: -39.416
where: short stacking energy: -39.416
Base-Backbone interact. energy: -0.097
local terms energy: -47.791382
where:
bonds (distance) C4'-P energy: -9.595
bonds (distance) P-C4' energy: -8.525
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -8.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -78.420805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.420805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.420805 (E_RNA)
where:
Base-Base interactions energy: -29.548
where: short stacking energy: -29.548
Base-Backbone interact. energy: -0.131
local terms energy: -48.742051
where:
bonds (distance) C4'-P energy: -10.102
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -11.096
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -6.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -73.476395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.476395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.476395 (E_RNA)
where:
Base-Base interactions energy: -33.983
where: short stacking energy: -33.983
Base-Backbone interact. energy: -0.039
local terms energy: -39.454741
where:
bonds (distance) C4'-P energy: -8.761
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -9.437
flat angles P-C4'-P energy: -4.023
tors. eta vs tors. theta energy: -4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -67.992848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.992848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.992848 (E_RNA)
where:
Base-Base interactions energy: -32.449
where: short stacking energy: -32.353
Base-Backbone interact. energy: -0.129
local terms energy: -35.415268
where:
bonds (distance) C4'-P energy: -6.329
bonds (distance) P-C4' energy: -9.265
flat angles C4'-P-C4' energy: -10.146
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -2.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -72.910440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.910440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.910440 (E_RNA)
where:
Base-Base interactions energy: -35.119
where: short stacking energy: -35.119
Base-Backbone interact. energy: -0.001
local terms energy: -37.790845
where:
bonds (distance) C4'-P energy: -7.787
bonds (distance) P-C4' energy: -5.823
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -4.439
tors. eta vs tors. theta energy: -8.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -67.825061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.825061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.825061 (E_RNA)
where:
Base-Base interactions energy: -25.122
where: short stacking energy: -25.122
Base-Backbone interact. energy: -0.028
local terms energy: -42.675578
where:
bonds (distance) C4'-P energy: -8.194
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -7.102
tors. eta vs tors. theta energy: -2.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -142.715378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.715378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.715378 (E_RNA)
where:
Base-Base interactions energy: -80.998
where: short stacking energy: -47.227
Base-Backbone interact. energy: -0.001
local terms energy: -61.716567
where:
bonds (distance) C4'-P energy: -11.637
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -13.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -129.371482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.371482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.371482 (E_RNA)
where:
Base-Base interactions energy: -77.735
where: short stacking energy: -36.811
Base-Backbone interact. energy: -0.169
local terms energy: -51.466773
where:
bonds (distance) C4'-P energy: -10.598
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -10.936
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -9.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -82.579106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.579106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.579106 (E_RNA)
where:
Base-Base interactions energy: -35.822
where: short stacking energy: -26.140
Base-Backbone interact. energy: -0.300
local terms energy: -46.456529
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -5.709
tors. eta vs tors. theta energy: -1.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -97.250880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.250880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.250880 (E_RNA)
where:
Base-Base interactions energy: -44.325
where: short stacking energy: -44.325
Base-Backbone interact. energy: -0.014
local terms energy: -52.912400
where:
bonds (distance) C4'-P energy: -8.797
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -9.694
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -9.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -85.190459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.190459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.190459 (E_RNA)
where:
Base-Base interactions energy: -38.000
where: short stacking energy: -38.000
Base-Backbone interact. energy: -0.015
local terms energy: -47.175690
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -9.166
flat angles C4'-P-C4' energy: -10.488
flat angles P-C4'-P energy: -4.474
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: 7
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -86.831571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.831571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.831571 (E_RNA)
where:
Base-Base interactions energy: -38.103
where: short stacking energy: -37.951
Base-Backbone interact. energy: -0.079
local terms energy: -48.649300
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: -6.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -74.446533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.446533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.446533 (E_RNA)
where:
Base-Base interactions energy: -31.145
where: short stacking energy: -31.145
Base-Backbone interact. energy: -0.001
local terms energy: -43.299966
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -10.075
flat angles C4'-P-C4' energy: -9.306
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -5.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -74.096993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.096993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.096993 (E_RNA)
where:
Base-Base interactions energy: -32.713
where: short stacking energy: -32.713
Base-Backbone interact. energy: -0.062
local terms energy: -41.321853
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -9.316
flat angles C4'-P-C4' energy: -9.535
flat angles P-C4'-P energy: -4.043
tors. eta vs tors. theta energy: -6.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -72.298726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.298726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.298726 (E_RNA)
where:
Base-Base interactions energy: -24.476
where: short stacking energy: -24.876
Base-Backbone interact. energy: -0.098
local terms energy: -47.725085
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -11.639
flat angles P-C4'-P energy: -7.695
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: 6
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -62.600987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.600987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.600987 (E_RNA)
where:
Base-Base interactions energy: -17.449
where: short stacking energy: -15.015
Base-Backbone interact. energy: -0.096
local terms energy: -45.055430
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -11.276
flat angles P-C4'-P energy: -4.463
tors. eta vs tors. theta energy: -4.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -131.742918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.742918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.742918 (E_RNA)
where:
Base-Base interactions energy: -75.372
where: short stacking energy: -38.906
Base-Backbone interact. energy: -0.002
local terms energy: -56.369078
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -10.608
flat angles P-C4'-P energy: -6.567
tors. eta vs tors. theta energy: -13.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -94.086640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.086640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.086640 (E_RNA)
where:
Base-Base interactions energy: -40.899
where: short stacking energy: -40.899
Base-Backbone interact. energy: -0.003
local terms energy: -53.184471
where:
bonds (distance) C4'-P energy: -9.820
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -11.073
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -10.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -114.979953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.979953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.979953 (E_RNA)
where:
Base-Base interactions energy: -69.304
where: short stacking energy: -40.615
Base-Backbone interact. energy: -0.136
local terms energy: -45.539887
where:
bonds (distance) C4'-P energy: -8.452
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -9.904
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -8.163
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: 243
Temperature: 1.050000
Total energy: -87.476436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.476436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.476436 (E_RNA)
where:
Base-Base interactions energy: -41.175
where: short stacking energy: -41.175
Base-Backbone interact. energy: 0.543
local terms energy: -46.843640
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -10.358
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -2.934
tors. eta vs tors. theta energy: -10.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -79.524922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.524922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.524922 (E_RNA)
where:
Base-Base interactions energy: -38.602
where: short stacking energy: -36.068
Base-Backbone interact. energy: -0.199
local terms energy: -40.724652
where:
bonds (distance) C4'-P energy: -10.332
bonds (distance) P-C4' energy: -7.494
flat angles C4'-P-C4' energy: -10.198
flat angles P-C4'-P energy: -5.888
tors. eta vs tors. theta energy: -6.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -76.375558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.375558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.375558 (E_RNA)
where:
Base-Base interactions energy: -30.684
where: short stacking energy: -30.684
Base-Backbone interact. energy: -0.012
local terms energy: -45.679576
where:
bonds (distance) C4'-P energy: -10.574
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -6.127
tors. eta vs tors. theta energy: -4.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -64.249371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.249371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.249371 (E_RNA)
where:
Base-Base interactions energy: -26.513
where: short stacking energy: -21.233
Base-Backbone interact. energy: 0.169
local terms energy: -37.905000
where:
bonds (distance) C4'-P energy: -6.769
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -10.856
flat angles P-C4'-P energy: -3.364
tors. eta vs tors. theta energy: -4.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -70.376197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.376197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.376197 (E_RNA)
where:
Base-Base interactions energy: -34.363
where: short stacking energy: -26.585
Base-Backbone interact. energy: -0.217
local terms energy: -35.795586
where:
bonds (distance) C4'-P energy: -9.514
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -7.642
flat angles P-C4'-P energy: -3.348
tors. eta vs tors. theta energy: -3.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -64.940772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.940772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.940772 (E_RNA)
where:
Base-Base interactions energy: -25.911
where: short stacking energy: -25.019
Base-Backbone interact. energy: -0.199
local terms energy: -38.830309
where:
bonds (distance) C4'-P energy: -9.067
bonds (distance) P-C4' energy: -7.006
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -5.939
tors. eta vs tors. theta energy: -3.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -59.568684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.568684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.568684 (E_RNA)
where:
Base-Base interactions energy: -18.704
where: short stacking energy: -18.704
Base-Backbone interact. energy: -0.202
local terms energy: -40.662381
where:
bonds (distance) C4'-P energy: -11.331
bonds (distance) P-C4' energy: -7.063
flat angles C4'-P-C4' energy: -11.290
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -2.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -134.583020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.583020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.583020 (E_RNA)
where:
Base-Base interactions energy: -74.342
where: short stacking energy: -47.773
Base-Backbone interact. energy: -0.006
local terms energy: -60.235490
where:
bonds (distance) C4'-P energy: -10.759
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -11.318
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -13.100
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: 3
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -114.677147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.677147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.677147 (E_RNA)
where:
Base-Base interactions energy: -49.413
where: short stacking energy: -49.413
Base-Backbone interact. energy: -0.005
local terms energy: -65.259584
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -15.832
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: 3, replica: 4
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -115.966451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.966451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.966451 (E_RNA)
where:
Base-Base interactions energy: -64.447
where: short stacking energy: -36.334
Base-Backbone interact. energy: 0.377
local terms energy: -51.896530
where:
bonds (distance) C4'-P energy: -11.617
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -11.504
flat angles P-C4'-P energy: -6.046
tors. eta vs tors. theta energy: -9.909
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: 9
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -96.193176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.193176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.193176 (E_RNA)
where:
Base-Base interactions energy: -54.462
where: short stacking energy: -35.462
Base-Backbone interact. energy: -0.078
local terms energy: -41.653249
where:
bonds (distance) C4'-P energy: -9.410
bonds (distance) P-C4' energy: -11.389
flat angles C4'-P-C4' energy: -7.391
flat angles P-C4'-P energy: -4.613
tors. eta vs tors. theta energy: -8.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -81.081674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.081674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.081674 (E_RNA)
where:
Base-Base interactions energy: -35.603
where: short stacking energy: -33.109
Base-Backbone interact. energy: -0.201
local terms energy: -45.278096
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -8.937
flat angles P-C4'-P energy: -4.485
tors. eta vs tors. theta energy: -5.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -78.259422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.259422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.259422 (E_RNA)
where:
Base-Base interactions energy: -31.588
where: short stacking energy: -31.578
Base-Backbone interact. energy: -0.106
local terms energy: -46.564738
where:
bonds (distance) C4'-P energy: -9.977
bonds (distance) P-C4' energy: -10.654
flat angles C4'-P-C4' energy: -9.843
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -5.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -70.073854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.073854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.073854 (E_RNA)
where:
Base-Base interactions energy: -24.300
where: short stacking energy: -24.300
Base-Backbone interact. energy: 0.082
local terms energy: -45.855947
where:
bonds (distance) C4'-P energy: -7.455
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -10.443
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -6.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -74.398726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.398726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.398726 (E_RNA)
where:
Base-Base interactions energy: -31.938
where: short stacking energy: -31.938
Base-Backbone interact. energy: -0.007
local terms energy: -42.453969
where:
bonds (distance) C4'-P energy: -9.708
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -4.749
tors. eta vs tors. theta energy: -3.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -63.855546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.855546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.855546 (E_RNA)
where:
Base-Base interactions energy: -22.240
where: short stacking energy: -22.240
Base-Backbone interact. energy: -0.191
local terms energy: -41.424773
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -9.509
flat angles P-C4'-P energy: -5.691
tors. eta vs tors. theta energy: -2.188
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: 10, replica: 5
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -60.073568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.073568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.073568 (E_RNA)
where:
Base-Base interactions energy: -21.493
where: short stacking energy: -21.493
Base-Backbone interact. energy: 0.517
local terms energy: -39.097383
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -9.182
flat angles C4'-P-C4' energy: -8.052
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -0.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -128.771266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.771266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.771266 (E_RNA)
where:
Base-Base interactions energy: -72.564
where: short stacking energy: -42.340
Base-Backbone interact. energy: -0.045
local terms energy: -56.161878
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -9.183
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -12.521
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: 4
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -124.744836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.744836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.744836 (E_RNA)
where:
Base-Base interactions energy: -67.055
where: short stacking energy: -38.775
Base-Backbone interact. energy: -0.123
local terms energy: -57.566683
where:
bonds (distance) C4'-P energy: -9.207
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -10.916
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: 245
Temperature: 1.000000
Total energy: -107.583506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.583506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.583506 (E_RNA)
where:
Base-Base interactions energy: -46.511
where: short stacking energy: -46.511
Base-Backbone interact. energy: -0.000
local terms energy: -61.072227
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -15.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -75.926962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.926962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.926962 (E_RNA)
where:
Base-Base interactions energy: -30.935
where: short stacking energy: -30.935
Base-Backbone interact. energy: -0.082
local terms energy: -44.910355
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -7.180
flat angles P-C4'-P energy: -6.234
tors. eta vs tors. theta energy: -7.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -90.946765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.946765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.946765 (E_RNA)
where:
Base-Base interactions energy: -40.902
where: short stacking energy: -40.902
Base-Backbone interact. energy: -0.027
local terms energy: -50.018321
where:
bonds (distance) C4'-P energy: -9.419
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -10.580
flat angles P-C4'-P energy: -5.154
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: 6, replica: 1
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -74.963796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.963796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.963796 (E_RNA)
where:
Base-Base interactions energy: -34.051
where: short stacking energy: -26.557
Base-Backbone interact. energy: -0.189
local terms energy: -40.723671
where:
bonds (distance) C4'-P energy: -5.945
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -10.410
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -2.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -73.325284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.325284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.325284 (E_RNA)
where:
Base-Base interactions energy: -31.450
where: short stacking energy: -31.450
Base-Backbone interact. energy: -0.005
local terms energy: -41.870556
where:
bonds (distance) C4'-P energy: -9.117
bonds (distance) P-C4' energy: -11.841
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -4.793
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: 8, replica: 6
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -65.008454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.008454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.008454 (E_RNA)
where:
Base-Base interactions energy: -22.573
where: short stacking energy: -21.595
Base-Backbone interact. energy: -0.334
local terms energy: -42.101600
where:
bonds (distance) C4'-P energy: -8.085
bonds (distance) P-C4' energy: -11.575
flat angles C4'-P-C4' energy: -8.538
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -3.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -72.654430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.654430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.654430 (E_RNA)
where:
Base-Base interactions energy: -36.841
where: short stacking energy: -21.819
Base-Backbone interact. energy: -0.043
local terms energy: -35.770379
where:
bonds (distance) C4'-P energy: -10.433
bonds (distance) P-C4' energy: -9.675
flat angles C4'-P-C4' energy: -10.633
flat angles P-C4'-P energy: -4.664
tors. eta vs tors. theta energy: -0.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -55.406996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.406996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.406996 (E_RNA)
where:
Base-Base interactions energy: -18.795
where: short stacking energy: -18.795
Base-Backbone interact. energy: -0.010
local terms energy: -36.602207
where:
bonds (distance) C4'-P energy: -9.824
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -8.667
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: 0.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -138.622768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.622768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.622768 (E_RNA)
where:
Base-Base interactions energy: -81.731
where: short stacking energy: -51.104
Base-Backbone interact. energy: -0.002
local terms energy: -56.890053
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -9.080
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -13.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -134.549725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.549725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.549725 (E_RNA)
where:
Base-Base interactions energy: -77.092
where: short stacking energy: -46.698
Base-Backbone interact. energy: -0.102
local terms energy: -57.355956
where:
bonds (distance) C4'-P energy: -10.706
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -4.860
tors. eta vs tors. theta energy: -14.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -96.019050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.019050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.019050 (E_RNA)
where:
Base-Base interactions energy: -38.952
where: short stacking energy: -38.952
Base-Backbone interact. energy: -0.135
local terms energy: -56.932703
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -11.767
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -10.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -91.106270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.106270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.106270 (E_RNA)
where:
Base-Base interactions energy: -35.870
where: short stacking energy: -35.870
Base-Backbone interact. energy: -0.011
local terms energy: -55.225242
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -11.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -90.549367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.549367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.549367 (E_RNA)
where:
Base-Base interactions energy: -38.971
where: short stacking energy: -38.971
Base-Backbone interact. energy: -0.000
local terms energy: -51.578549
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -10.973
flat angles P-C4'-P energy: -5.960
tors. eta vs tors. theta energy: -9.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -82.033685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.033685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.033685 (E_RNA)
where:
Base-Base interactions energy: -37.551
where: short stacking energy: -37.551
Base-Backbone interact. energy: -0.104
local terms energy: -44.378344
where:
bonds (distance) C4'-P energy: -6.943
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -8.909
flat angles P-C4'-P energy: -5.357
tors. eta vs tors. theta energy: -9.641
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: 6
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -69.307767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.307767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.307767 (E_RNA)
where:
Base-Base interactions energy: -32.506
where: short stacking energy: -32.506
Base-Backbone interact. energy: -0.032
local terms energy: -36.770034
where:
bonds (distance) C4'-P energy: -7.453
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -6.133
flat angles P-C4'-P energy: -4.732
tors. eta vs tors. theta energy: -4.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -75.918986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.918986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.918986 (E_RNA)
where:
Base-Base interactions energy: -32.615
where: short stacking energy: -32.615
Base-Backbone interact. energy: -0.002
local terms energy: -43.302320
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -11.948
flat angles C4'-P-C4' energy: -10.031
flat angles P-C4'-P energy: -2.192
tors. eta vs tors. theta energy: -6.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -65.392535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.392535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.392535 (E_RNA)
where:
Base-Base interactions energy: -27.229
where: short stacking energy: -18.402
Base-Backbone interact. energy: 0.118
local terms energy: -38.281712
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -9.865
flat angles P-C4'-P energy: -6.099
tors. eta vs tors. theta energy: 0.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -64.157031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.157031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.157031 (E_RNA)
where:
Base-Base interactions energy: -29.195
where: short stacking energy: -27.165
Base-Backbone interact. energy: -0.120
local terms energy: -34.841664
where:
bonds (distance) C4'-P energy: -6.378
bonds (distance) P-C4' energy: -9.138
flat angles C4'-P-C4' energy: -7.695
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: -4.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -132.789576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.789576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.789576 (E_RNA)
where:
Base-Base interactions energy: -78.117
where: short stacking energy: -48.918
Base-Backbone interact. energy: 1.374
local terms energy: -56.047294
where:
bonds (distance) C4'-P energy: -11.120
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -10.605
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -13.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -128.993143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.993143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.993143 (E_RNA)
where:
Base-Base interactions energy: -71.150
where: short stacking energy: -42.115
Base-Backbone interact. energy: -0.055
local terms energy: -57.787511
where:
bonds (distance) C4'-P energy: -11.264
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -12.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -102.182033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.182033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.182033 (E_RNA)
where:
Base-Base interactions energy: -46.205
where: short stacking energy: -45.708
Base-Backbone interact. energy: -0.003
local terms energy: -55.973468
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -11.072
flat angles C4'-P-C4' energy: -10.287
flat angles P-C4'-P energy: -9.332
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: 4, replica: 9
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -75.908272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.908272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.908272 (E_RNA)
where:
Base-Base interactions energy: -32.993
where: short stacking energy: -32.993
Base-Backbone interact. energy: -0.009
local terms energy: -42.907139
where:
bonds (distance) C4'-P energy: -10.143
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -5.926
tors. eta vs tors. theta energy: -2.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -77.314562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.314562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.314562 (E_RNA)
where:
Base-Base interactions energy: -33.768
where: short stacking energy: -34.172
Base-Backbone interact. energy: -0.187
local terms energy: -43.359182
where:
bonds (distance) C4'-P energy: -7.207
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -6.152
tors. eta vs tors. theta energy: -4.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -79.233374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.233374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.233374 (E_RNA)
where:
Base-Base interactions energy: -31.491
where: short stacking energy: -31.491
Base-Backbone interact. energy: -0.001
local terms energy: -47.741478
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -8.072
flat angles P-C4'-P energy: -4.577
tors. eta vs tors. theta energy: -10.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -79.877275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.877275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.877275 (E_RNA)
where:
Base-Base interactions energy: -32.934
where: short stacking energy: -32.934
Base-Backbone interact. energy: -0.001
local terms energy: -46.942381
where:
bonds (distance) C4'-P energy: -10.665
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -4.496
tors. eta vs tors. theta energy: -7.235
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: 5
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -74.646279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.646279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.646279 (E_RNA)
where:
Base-Base interactions energy: -39.266
where: short stacking energy: -26.207
Base-Backbone interact. energy: -0.441
local terms energy: -34.939826
where:
bonds (distance) C4'-P energy: -8.694
bonds (distance) P-C4' energy: -10.563
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -3.607
tors. eta vs tors. theta energy: -0.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -58.648510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.648510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.648510 (E_RNA)
where:
Base-Base interactions energy: -17.788
where: short stacking energy: -17.788
Base-Backbone interact. energy: -0.179
local terms energy: -40.681069
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -8.083
flat angles C4'-P-C4' energy: -10.097
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -2.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -72.769607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.769607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.769607 (E_RNA)
where:
Base-Base interactions energy: -30.199
where: short stacking energy: -30.199
Base-Backbone interact. energy: 0.701
local terms energy: -43.271729
where:
bonds (distance) C4'-P energy: -9.126
bonds (distance) P-C4' energy: -9.692
flat angles C4'-P-C4' energy: -10.937
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -5.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -137.392191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.392191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.392191 (E_RNA)
where:
Base-Base interactions energy: -79.515
where: short stacking energy: -53.058
Base-Backbone interact. energy: 0.363
local terms energy: -58.239498
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -12.002
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: 4
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -119.705898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.705898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.705898 (E_RNA)
where:
Base-Base interactions energy: -66.481
where: short stacking energy: -35.682
Base-Backbone interact. energy: -0.172
local terms energy: -53.053521
where:
bonds (distance) C4'-P energy: -12.822
bonds (distance) P-C4' energy: -12.224
flat angles C4'-P-C4' energy: -10.858
flat angles P-C4'-P energy: -5.756
tors. eta vs tors. theta energy: -11.393
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: 9
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -101.047973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.047973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.047973 (E_RNA)
where:
Base-Base interactions energy: -49.872
where: short stacking energy: -36.723
Base-Backbone interact. energy: 0.423
local terms energy: -51.599131
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -7.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -92.467008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.467008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.467008 (E_RNA)
where:
Base-Base interactions energy: -47.688
where: short stacking energy: -35.949
Base-Backbone interact. energy: -0.069
local terms energy: -44.710321
where:
bonds (distance) C4'-P energy: -9.622
bonds (distance) P-C4' energy: -10.672
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -3.042
tors. eta vs tors. theta energy: -7.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -78.035117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.035117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.035117 (E_RNA)
where:
Base-Base interactions energy: -37.492
where: short stacking energy: -37.492
Base-Backbone interact. energy: -0.174
local terms energy: -40.369721
where:
bonds (distance) C4'-P energy: -8.470
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -2.999
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -6.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -85.020200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.020200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.020200 (E_RNA)
where:
Base-Base interactions energy: -40.993
where: short stacking energy: -29.445
Base-Backbone interact. energy: -0.330
local terms energy: -43.697356
where:
bonds (distance) C4'-P energy: -9.381
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -5.048
tors. eta vs tors. theta energy: -3.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -72.776322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.776322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.776322 (E_RNA)
where:
Base-Base interactions energy: -24.822
where: short stacking energy: -24.822
Base-Backbone interact. energy: -0.080
local terms energy: -47.873881
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -10.129
flat angles C4'-P-C4' energy: -10.079
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -5.354
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: 1
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -68.836453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.836453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.836453 (E_RNA)
where:
Base-Base interactions energy: -27.591
where: short stacking energy: -27.591
Base-Backbone interact. energy: -0.080
local terms energy: -41.164888
where:
bonds (distance) C4'-P energy: -10.296
bonds (distance) P-C4' energy: -10.951
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -5.511
tors. eta vs tors. theta energy: -2.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -66.768099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.768099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.768099 (E_RNA)
where:
Base-Base interactions energy: -29.073
where: short stacking energy: -29.073
Base-Backbone interact. energy: -0.001
local terms energy: -37.694024
where:
bonds (distance) C4'-P energy: -6.293
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -5.703
flat angles P-C4'-P energy: -7.536
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: 10, replica: 2
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -57.970153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.970153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.970153 (E_RNA)
where:
Base-Base interactions energy: -14.232
where: short stacking energy: -14.232
Base-Backbone interact. energy: -0.039
local terms energy: -43.700024
where:
bonds (distance) C4'-P energy: -7.721
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: 0.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -132.963445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.963445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.963445 (E_RNA)
where:
Base-Base interactions energy: -73.948
where: short stacking energy: -47.846
Base-Backbone interact. energy: 0.607
local terms energy: -59.623221
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -6.999
tors. eta vs tors. theta energy: -13.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -130.777296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.777296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.777296 (E_RNA)
where:
Base-Base interactions energy: -76.240
where: short stacking energy: -46.215
Base-Backbone interact. energy: -0.006
local terms energy: -54.530820
where:
bonds (distance) C4'-P energy: -11.364
bonds (distance) P-C4' energy: -9.605
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -11.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -88.918964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.918964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.918964 (E_RNA)
where:
Base-Base interactions energy: -40.992
where: short stacking energy: -30.549
Base-Backbone interact. energy: -0.067
local terms energy: -47.860652
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -11.132
flat angles C4'-P-C4' energy: -10.560
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -5.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -83.257815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.257815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.257815 (E_RNA)
where:
Base-Base interactions energy: -30.875
where: short stacking energy: -30.875
Base-Backbone interact. energy: -0.076
local terms energy: -52.306472
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -8.399
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -8.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -93.206459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.206459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.206459 (E_RNA)
where:
Base-Base interactions energy: -44.025
where: short stacking energy: -26.808
Base-Backbone interact. energy: -0.572
local terms energy: -48.608766
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -10.601
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -3.274
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: 5
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -86.680631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.680631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.680631 (E_RNA)
where:
Base-Base interactions energy: -33.367
where: short stacking energy: -33.123
Base-Backbone interact. energy: -0.007
local terms energy: -53.306657
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -9.545
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -10.811
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: 249
Temperature: 1.200000
Total energy: -92.865335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.865335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.865335 (E_RNA)
where:
Base-Base interactions energy: -39.731
where: short stacking energy: -39.731
Base-Backbone interact. energy: -0.005
local terms energy: -53.129126
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -8.890
flat angles P-C4'-P energy: -5.375
tors. eta vs tors. theta energy: -13.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -69.017721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.017721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.017721 (E_RNA)
where:
Base-Base interactions energy: -28.630
where: short stacking energy: -18.819
Base-Backbone interact. energy: -0.202
local terms energy: -40.186299
where:
bonds (distance) C4'-P energy: -10.264
bonds (distance) P-C4' energy: -10.973
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -6.628
tors. eta vs tors. theta energy: -0.331
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: 9, replica: 7
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -81.557659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.557659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.557659 (E_RNA)
where:
Base-Base interactions energy: -38.294
where: short stacking energy: -38.294
Base-Backbone interact. energy: 0.920
local terms energy: -44.183591
where:
bonds (distance) C4'-P energy: -9.037
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -10.088
flat angles P-C4'-P energy: -3.900
tors. eta vs tors. theta energy: -8.943
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: 2
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -69.761086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.761086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.761086 (E_RNA)
where:
Base-Base interactions energy: -28.689
where: short stacking energy: -27.392
Base-Backbone interact. energy: 0.510
local terms energy: -41.581832
where:
bonds (distance) C4'-P energy: -8.835
bonds (distance) P-C4' energy: -10.548
flat angles C4'-P-C4' energy: -8.010
flat angles P-C4'-P energy: -6.230
tors. eta vs tors. theta energy: -7.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -151.653551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.653551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.653551 (E_RNA)
where:
Base-Base interactions energy: -93.008
where: short stacking energy: -57.739
Base-Backbone interact. energy: -0.022
local terms energy: -58.623583
where:
bonds (distance) C4'-P energy: -10.353
bonds (distance) P-C4' energy: -10.926
flat angles C4'-P-C4' energy: -12.780
flat angles P-C4'-P energy: -8.938
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: 2, replica: 10
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -129.459328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.459328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.459328 (E_RNA)
where:
Base-Base interactions energy: -71.305
where: short stacking energy: -44.648
Base-Backbone interact. energy: -0.629
local terms energy: -57.525646
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -9.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -87.599036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.599036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.599036 (E_RNA)
where:
Base-Base interactions energy: -40.278
where: short stacking energy: -38.488
Base-Backbone interact. energy: -0.014
local terms energy: -47.307841
where:
bonds (distance) C4'-P energy: -9.088
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -7.506
flat angles P-C4'-P energy: -8.014
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: 4, replica: 6
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -92.306747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.306747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.306747 (E_RNA)
where:
Base-Base interactions energy: -45.067
where: short stacking energy: -45.067
Base-Backbone interact. energy: -0.101
local terms energy: -47.138846
where:
bonds (distance) C4'-P energy: -10.126
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -6.609
flat angles P-C4'-P energy: -6.977
tors. eta vs tors. theta energy: -11.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -86.331205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.331205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.331205 (E_RNA)
where:
Base-Base interactions energy: -31.815
where: short stacking energy: -31.815
Base-Backbone interact. energy: -0.005
local terms energy: -54.510390
where:
bonds (distance) C4'-P energy: -10.408
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -5.827
tors. eta vs tors. theta energy: -10.050
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: 8
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -67.431347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.431347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.431347 (E_RNA)
where:
Base-Base interactions energy: -25.540
where: short stacking energy: -21.083
Base-Backbone interact. energy: -0.145
local terms energy: -41.746212
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -7.477
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -0.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -69.427397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.427397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.427397 (E_RNA)
where:
Base-Base interactions energy: -27.546
where: short stacking energy: -27.546
Base-Backbone interact. energy: -1.208
local terms energy: -40.673557
where:
bonds (distance) C4'-P energy: -10.537
bonds (distance) P-C4' energy: -8.496
flat angles C4'-P-C4' energy: -9.091
flat angles P-C4'-P energy: -5.264
tors. eta vs tors. theta energy: -7.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -57.632075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.632075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.632075 (E_RNA)
where:
Base-Base interactions energy: -15.993
where: short stacking energy: -10.518
Base-Backbone interact. energy: -0.150
local terms energy: -41.488740
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -9.446
flat angles P-C4'-P energy: -5.416
tors. eta vs tors. theta energy: 0.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -63.705788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.705788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.705788 (E_RNA)
where:
Base-Base interactions energy: -23.638
where: short stacking energy: -18.174
Base-Backbone interact. energy: -0.012
local terms energy: -40.055209
where:
bonds (distance) C4'-P energy: -8.262
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -6.750
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -6.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -69.935229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.935229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.935229 (E_RNA)
where:
Base-Base interactions energy: -23.186
where: short stacking energy: -21.828
Base-Backbone interact. energy: -0.114
local terms energy: -46.634558
where:
bonds (distance) C4'-P energy: -11.546
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -9.240
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -5.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -142.870777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.870777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.870777 (E_RNA)
where:
Base-Base interactions energy: -80.963
where: short stacking energy: -45.385
Base-Backbone interact. energy: -0.084
local terms energy: -61.823547
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -11.948
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -15.334
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: 10
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -138.047504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.047504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.047504 (E_RNA)
where:
Base-Base interactions energy: -82.739
where: short stacking energy: -47.635
Base-Backbone interact. energy: -0.122
local terms energy: -55.186113
where:
bonds (distance) C4'-P energy: -11.310
bonds (distance) P-C4' energy: -12.861
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -6.505
tors. eta vs tors. theta energy: -11.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -90.210358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.210358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.210358 (E_RNA)
where:
Base-Base interactions energy: -40.159
where: short stacking energy: -40.159
Base-Backbone interact. energy: -0.060
local terms energy: -49.991031
where:
bonds (distance) C4'-P energy: -9.242
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -10.208
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: -10.187
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: 4, replica: 6
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -106.681404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.681404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.681404 (E_RNA)
where:
Base-Base interactions energy: -49.432
where: short stacking energy: -49.432
Base-Backbone interact. energy: -0.001
local terms energy: -57.248819
where:
bonds (distance) C4'-P energy: -10.230
bonds (distance) P-C4' energy: -9.921
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -15.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -93.229277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.229277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.229277 (E_RNA)
where:
Base-Base interactions energy: -43.222
where: short stacking energy: -29.174
Base-Backbone interact. energy: -0.033
local terms energy: -49.974170
where:
bonds (distance) C4'-P energy: -9.995
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -9.299
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -8.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -84.162795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.162795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.162795 (E_RNA)
where:
Base-Base interactions energy: -40.543
where: short stacking energy: -32.306
Base-Backbone interact. energy: -0.103
local terms energy: -43.516979
where:
bonds (distance) C4'-P energy: -8.905
bonds (distance) P-C4' energy: -9.003
flat angles C4'-P-C4' energy: -10.307
flat angles P-C4'-P energy: -7.172
tors. eta vs tors. theta energy: -8.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -84.657252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.657252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.657252 (E_RNA)
where:
Base-Base interactions energy: -38.390
where: short stacking energy: -38.390
Base-Backbone interact. energy: -0.060
local terms energy: -46.207004
where:
bonds (distance) C4'-P energy: -9.489
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -6.926
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -8.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -75.654817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.654817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.654817 (E_RNA)
where:
Base-Base interactions energy: -32.493
where: short stacking energy: -32.493
Base-Backbone interact. energy: 0.772
local terms energy: -43.933842
where:
bonds (distance) C4'-P energy: -9.268
bonds (distance) P-C4' energy: -11.240
flat angles C4'-P-C4' energy: -7.865
flat angles P-C4'-P energy: -6.994
tors. eta vs tors. theta energy: -8.566
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: 1
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -73.883112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.883112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.883112 (E_RNA)
where:
Base-Base interactions energy: -26.546
where: short stacking energy: -24.905
Base-Backbone interact. energy: -0.004
local terms energy: -47.333983
where:
bonds (distance) C4'-P energy: -10.681
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -9.321
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -8.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -65.177635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.177635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.177635 (E_RNA)
where:
Base-Base interactions energy: -21.728
where: short stacking energy: -21.324
Base-Backbone interact. energy: -0.081
local terms energy: -43.368655
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -9.021
flat angles P-C4'-P energy: -3.579
tors. eta vs tors. theta energy: -5.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -149.016824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.016824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.016824 (E_RNA)
where:
Base-Base interactions energy: -87.990
where: short stacking energy: -48.184
Base-Backbone interact. energy: -0.004
local terms energy: -61.022474
where:
bonds (distance) C4'-P energy: -10.529
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -9.016
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: 2, replica: 10
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -134.337520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.337520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.337520 (E_RNA)
where:
Base-Base interactions energy: -80.646
where: short stacking energy: -44.072
Base-Backbone interact. energy: -0.002
local terms energy: -53.688762
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -4.061
tors. eta vs tors. theta energy: -11.878
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: 9
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -94.568037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.568037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.568037 (E_RNA)
where:
Base-Base interactions energy: -43.034
where: short stacking energy: -43.034
Base-Backbone interact. energy: -0.001
local terms energy: -51.533251
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -11.544
flat angles C4'-P-C4' energy: -9.425
flat angles P-C4'-P energy: -6.901
tors. eta vs tors. theta energy: -10.739
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: 4, replica: 6
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -89.083279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.083279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.083279 (E_RNA)
where:
Base-Base interactions energy: -42.486
where: short stacking energy: -42.486
Base-Backbone interact. energy: -0.034
local terms energy: -46.563835
where:
bonds (distance) C4'-P energy: -7.755
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -3.597
tors. eta vs tors. theta energy: -9.195
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: 3
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -89.151757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.151757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.151757 (E_RNA)
where:
Base-Base interactions energy: -36.613
where: short stacking energy: -36.613
Base-Backbone interact. energy: -0.000
local terms energy: -52.538284
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -12.104
flat angles C4'-P-C4' energy: -10.692
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -11.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -79.304572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.304572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.304572 (E_RNA)
where:
Base-Base interactions energy: -34.506
where: short stacking energy: -34.506
Base-Backbone interact. energy: 0.246
local terms energy: -45.044286
where:
bonds (distance) C4'-P energy: -9.919
bonds (distance) P-C4' energy: -10.240
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -4.786
tors. eta vs tors. theta energy: -7.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -69.106180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.106180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.106180 (E_RNA)
where:
Base-Base interactions energy: -24.685
where: short stacking energy: -22.810
Base-Backbone interact. energy: -0.042
local terms energy: -44.379193
where:
bonds (distance) C4'-P energy: -12.536
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -10.445
flat angles P-C4'-P energy: -7.508
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: 8, replica: 8
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -69.106521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.106521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.106521 (E_RNA)
where:
Base-Base interactions energy: -26.629
where: short stacking energy: -26.629
Base-Backbone interact. energy: -0.072
local terms energy: -42.405584
where:
bonds (distance) C4'-P energy: -9.687
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -8.254
flat angles P-C4'-P energy: -6.145
tors. eta vs tors. theta energy: -5.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -69.551170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.551170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.551170 (E_RNA)
where:
Base-Base interactions energy: -25.921
where: short stacking energy: -25.921
Base-Backbone interact. energy: -0.441
local terms energy: -43.189423
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -10.501
flat angles P-C4'-P energy: -6.676
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: 10, replica: 1
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -63.887071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.887071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.887071 (E_RNA)
where:
Base-Base interactions energy: -23.346
where: short stacking energy: -23.346
Base-Backbone interact. energy: -0.060
local terms energy: -40.481565
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -9.728
flat angles C4'-P-C4' energy: -8.538
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -1.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -129.741098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.741098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.741098 (E_RNA)
where:
Base-Base interactions energy: -76.768
where: short stacking energy: -47.905
Base-Backbone interact. energy: -0.012
local terms energy: -52.961462
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -11.472
flat angles C4'-P-C4' energy: -10.525
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -11.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -101.965585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.965585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.965585 (E_RNA)
where:
Base-Base interactions energy: -48.789
where: short stacking energy: -48.789
Base-Backbone interact. energy: -0.005
local terms energy: -53.172170
where:
bonds (distance) C4'-P energy: -10.718
bonds (distance) P-C4' energy: -8.931
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -8.033
tors. eta vs tors. theta energy: -13.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -119.410341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.410341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.410341 (E_RNA)
where:
Base-Base interactions energy: -62.463
where: short stacking energy: -42.583
Base-Backbone interact. energy: -0.004
local terms energy: -56.943209
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -6.929
tors. eta vs tors. theta energy: -11.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -89.811118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.811118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.811118 (E_RNA)
where:
Base-Base interactions energy: -40.210
where: short stacking energy: -40.210
Base-Backbone interact. energy: -0.024
local terms energy: -49.577545
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -11.046
flat angles C4'-P-C4' energy: -8.780
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -9.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -83.178466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.178466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.178466 (E_RNA)
where:
Base-Base interactions energy: -40.646
where: short stacking energy: -40.646
Base-Backbone interact. energy: 0.153
local terms energy: -42.686036
where:
bonds (distance) C4'-P energy: -10.354
bonds (distance) P-C4' energy: -10.593
flat angles C4'-P-C4' energy: -8.481
flat angles P-C4'-P energy: -6.133
tors. eta vs tors. theta energy: -7.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -71.054737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.054737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.054737 (E_RNA)
where:
Base-Base interactions energy: -24.259
where: short stacking energy: -24.259
Base-Backbone interact. energy: -0.002
local terms energy: -46.793808
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -5.778
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -6.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -83.406485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.406485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.406485 (E_RNA)
where:
Base-Base interactions energy: -30.430
where: short stacking energy: -30.430
Base-Backbone interact. energy: -0.007
local terms energy: -52.969650
where:
bonds (distance) C4'-P energy: -10.966
bonds (distance) P-C4' energy: -9.762
flat angles C4'-P-C4' energy: -10.966
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -11.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -85.735573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.735573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.735573 (E_RNA)
where:
Base-Base interactions energy: -38.610
where: short stacking energy: -30.022
Base-Backbone interact. energy: -0.175
local terms energy: -46.951198
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -7.926
flat angles P-C4'-P energy: -6.530
tors. eta vs tors. theta energy: -8.610
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: 8
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -69.619462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.619462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.619462 (E_RNA)
where:
Base-Base interactions energy: -23.206
where: short stacking energy: -23.206
Base-Backbone interact. energy: -0.040
local terms energy: -46.373500
where:
bonds (distance) C4'-P energy: -9.613
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -8.671
flat angles P-C4'-P energy: -5.074
tors. eta vs tors. theta energy: -9.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -66.693280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.693280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.693280 (E_RNA)
where:
Base-Base interactions energy: -21.679
where: short stacking energy: -21.679
Base-Backbone interact. energy: -0.010
local terms energy: -45.004601
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -10.368
flat angles C4'-P-C4' energy: -7.269
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -3.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -145.486161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.486161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.486161 (E_RNA)
where:
Base-Base interactions energy: -89.073
where: short stacking energy: -56.463
Base-Backbone interact. energy: -0.338
local terms energy: -56.075101
where:
bonds (distance) C4'-P energy: -10.801
bonds (distance) P-C4' energy: -11.392
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -6.526
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: 9
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -100.131003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.131003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.131003 (E_RNA)
where:
Base-Base interactions energy: -48.802
where: short stacking energy: -48.165
Base-Backbone interact. energy: -0.153
local terms energy: -51.176143
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -10.259
flat angles C4'-P-C4' energy: -10.330
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -11.711
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: 10
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -132.711076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.711076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.711076 (E_RNA)
where:
Base-Base interactions energy: -75.639
where: short stacking energy: -48.056
Base-Backbone interact. energy: -0.119
local terms energy: -56.952306
where:
bonds (distance) C4'-P energy: -8.565
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -13.609
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: 4, replica: 6
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -96.587560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.587560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.587560 (E_RNA)
where:
Base-Base interactions energy: -41.641
where: short stacking energy: -41.641
Base-Backbone interact. energy: -0.000
local terms energy: -54.946003
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -8.931
flat angles C4'-P-C4' energy: -10.397
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -16.809
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: 2
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -73.760985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.760985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.760985 (E_RNA)
where:
Base-Base interactions energy: -23.017
where: short stacking energy: -23.017
Base-Backbone interact. energy: -0.004
local terms energy: -50.739092
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -5.869
tors. eta vs tors. theta energy: -6.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -76.792679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.792679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.792679 (E_RNA)
where:
Base-Base interactions energy: -32.484
where: short stacking energy: -32.484
Base-Backbone interact. energy: -0.058
local terms energy: -44.250402
where:
bonds (distance) C4'-P energy: -9.866
bonds (distance) P-C4' energy: -9.737
flat angles C4'-P-C4' energy: -11.878
flat angles P-C4'-P energy: -6.123
tors. eta vs tors. theta energy: -6.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -76.825382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.825382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.825382 (E_RNA)
where:
Base-Base interactions energy: -31.111
where: short stacking energy: -31.111
Base-Backbone interact. energy: -0.241
local terms energy: -45.473471
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -9.201
flat angles P-C4'-P energy: -4.558
tors. eta vs tors. theta energy: -6.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -76.928574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.928574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.928574 (E_RNA)
where:
Base-Base interactions energy: -36.163
where: short stacking energy: -34.378
Base-Backbone interact. energy: -0.027
local terms energy: -40.738447
where:
bonds (distance) C4'-P energy: -7.786
bonds (distance) P-C4' energy: -5.872
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -7.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -70.740830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.740830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.740830 (E_RNA)
where:
Base-Base interactions energy: -27.185
where: short stacking energy: -27.185
Base-Backbone interact. energy: -0.084
local terms energy: -43.471607
where:
bonds (distance) C4'-P energy: -10.387
bonds (distance) P-C4' energy: -10.560
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -6.095
tors. eta vs tors. theta energy: -5.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -60.273879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.273879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.273879 (E_RNA)
where:
Base-Base interactions energy: -17.657
where: short stacking energy: -17.657
Base-Backbone interact. energy: -0.181
local terms energy: -42.436200
where:
bonds (distance) C4'-P energy: -10.119
bonds (distance) P-C4' energy: -13.910
flat angles C4'-P-C4' energy: -10.918
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -0.249
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: 4
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -144.712145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.712145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.712145 (E_RNA)
where:
Base-Base interactions energy: -85.089
where: short stacking energy: -52.746
Base-Backbone interact. energy: -0.041
local terms energy: -59.581759
where:
bonds (distance) C4'-P energy: -12.822
bonds (distance) P-C4' energy: -11.057
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -12.263
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: 2, replica: 10
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -129.708765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.708765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.708765 (E_RNA)
where:
Base-Base interactions energy: -70.674
where: short stacking energy: -41.882
Base-Backbone interact. energy: -0.005
local terms energy: -59.030556
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -6.630
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: 3, replica: 9
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -101.942557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.942557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.942557 (E_RNA)
where:
Base-Base interactions energy: -46.772
where: short stacking energy: -46.772
Base-Backbone interact. energy: -0.000
local terms energy: -55.169691
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -11.517
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: -6.419
tors. eta vs tors. theta energy: -13.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -96.150428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.150428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.150428 (E_RNA)
where:
Base-Base interactions energy: -45.706
where: short stacking energy: -31.932
Base-Backbone interact. energy: -1.472
local terms energy: -48.973281
where:
bonds (distance) C4'-P energy: -9.213
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -11.209
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -8.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -90.794454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.794454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.794454 (E_RNA)
where:
Base-Base interactions energy: -40.572
where: short stacking energy: -40.572
Base-Backbone interact. energy: -0.009
local terms energy: -50.212921
where:
bonds (distance) C4'-P energy: -10.175
bonds (distance) P-C4' energy: -11.157
flat angles C4'-P-C4' energy: -10.276
flat angles P-C4'-P energy: -6.218
tors. eta vs tors. theta energy: -12.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -84.204128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.204128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.204128 (E_RNA)
where:
Base-Base interactions energy: -37.214
where: short stacking energy: -37.214
Base-Backbone interact. energy: -0.006
local terms energy: -46.984562
where:
bonds (distance) C4'-P energy: -8.706
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -7.746
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -10.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -78.430784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.430784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.430784 (E_RNA)
where:
Base-Base interactions energy: -32.252
where: short stacking energy: -32.252
Base-Backbone interact. energy: -0.004
local terms energy: -46.173980
where:
bonds (distance) C4'-P energy: -8.078
bonds (distance) P-C4' energy: -11.321
flat angles C4'-P-C4' energy: -11.781
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -6.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -72.437581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.437581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.437581 (E_RNA)
where:
Base-Base interactions energy: -37.173
where: short stacking energy: -28.080
Base-Backbone interact. energy: -0.120
local terms energy: -35.144817
where:
bonds (distance) C4'-P energy: -8.371
bonds (distance) P-C4' energy: -10.630
flat angles C4'-P-C4' energy: -7.777
flat angles P-C4'-P energy: -0.518
tors. eta vs tors. theta energy: -7.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -73.498799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.498799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.498799 (E_RNA)
where:
Base-Base interactions energy: -33.680
where: short stacking energy: -32.396
Base-Backbone interact. energy: -0.167
local terms energy: -39.652220
where:
bonds (distance) C4'-P energy: -6.088
bonds (distance) P-C4' energy: -11.763
flat angles C4'-P-C4' energy: -8.550
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -5.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -73.169098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.169098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.169098 (E_RNA)
where:
Base-Base interactions energy: -28.915
where: short stacking energy: -28.915
Base-Backbone interact. energy: -0.021
local terms energy: -44.232616
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -9.532
flat angles P-C4'-P energy: -4.875
tors. eta vs tors. theta energy: -5.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -141.414753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.414753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.414753 (E_RNA)
where:
Base-Base interactions energy: -83.254
where: short stacking energy: -44.181
Base-Backbone interact. energy: -0.016
local terms energy: -58.144490
where:
bonds (distance) C4'-P energy: -9.401
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -12.970
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: 4
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -136.119697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.119697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.119697 (E_RNA)
where:
Base-Base interactions energy: -85.090
where: short stacking energy: -51.244
Base-Backbone interact. energy: -0.052
local terms energy: -50.977261
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -3.735
tors. eta vs tors. theta energy: -11.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -85.602388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.602388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.602388 (E_RNA)
where:
Base-Base interactions energy: -40.846
where: short stacking energy: -40.846
Base-Backbone interact. energy: -0.030
local terms energy: -44.727268
where:
bonds (distance) C4'-P energy: -8.718
bonds (distance) P-C4' energy: -14.485
flat angles C4'-P-C4' energy: -9.942
flat angles P-C4'-P energy: -6.748
tors. eta vs tors. theta energy: -4.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -82.448945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.448945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.448945 (E_RNA)
where:
Base-Base interactions energy: -38.649
where: short stacking energy: -38.649
Base-Backbone interact. energy: -0.113
local terms energy: -43.686751
where:
bonds (distance) C4'-P energy: -9.817
bonds (distance) P-C4' energy: -10.933
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -6.991
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: 5, replica: 3
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -86.485116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.485116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.485116 (E_RNA)
where:
Base-Base interactions energy: -28.966
where: short stacking energy: -28.966
Base-Backbone interact. energy: -0.081
local terms energy: -57.438904
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -11.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -97.163834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.163834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.163834 (E_RNA)
where:
Base-Base interactions energy: -56.124
where: short stacking energy: -27.634
Base-Backbone interact. energy: -0.103
local terms energy: -40.937072
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -9.266
flat angles P-C4'-P energy: -3.471
tors. eta vs tors. theta energy: -2.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -74.359364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.359364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.359364 (E_RNA)
where:
Base-Base interactions energy: -27.347
where: short stacking energy: -23.002
Base-Backbone interact. energy: -0.023
local terms energy: -46.989137
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -8.982
flat angles C4'-P-C4' energy: -11.036
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -7.306
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: 5
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -67.080513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.080513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.080513 (E_RNA)
where:
Base-Base interactions energy: -27.016
where: short stacking energy: -27.016
Base-Backbone interact. energy: -0.265
local terms energy: -39.799940
where:
bonds (distance) C4'-P energy: -9.145
bonds (distance) P-C4' energy: -9.713
flat angles C4'-P-C4' energy: -11.612
flat angles P-C4'-P energy: -5.790
tors. eta vs tors. theta energy: -3.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -65.375738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.375738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.375738 (E_RNA)
where:
Base-Base interactions energy: -28.435
where: short stacking energy: -28.435
Base-Backbone interact. energy: 0.413
local terms energy: -37.353851
where:
bonds (distance) C4'-P energy: -7.969
bonds (distance) P-C4' energy: -9.956
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -5.201
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: 10, replica: 7
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -64.961782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.961782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.961782 (E_RNA)
where:
Base-Base interactions energy: -23.488
where: short stacking energy: -13.530
Base-Backbone interact. energy: 0.018
local terms energy: -41.491412
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -5.819
tors. eta vs tors. theta energy: -0.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -136.638840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.638840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.638840 (E_RNA)
where:
Base-Base interactions energy: -75.856
where: short stacking energy: -46.999
Base-Backbone interact. energy: -0.102
local terms energy: -60.681355
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -6.285
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: 2, replica: 4
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -139.562501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.562501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.562501 (E_RNA)
where:
Base-Base interactions energy: -83.194
where: short stacking energy: -49.779
Base-Backbone interact. energy: -0.120
local terms energy: -56.248592
where:
bonds (distance) C4'-P energy: -11.194
bonds (distance) P-C4' energy: -11.312
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -7.250
tors. eta vs tors. theta energy: -13.008
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: 9
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -115.241031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.241031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.241031 (E_RNA)
where:
Base-Base interactions energy: -55.323
where: short stacking energy: -55.323
Base-Backbone interact. energy: -0.000
local terms energy: -59.917883
where:
bonds (distance) C4'-P energy: -10.772
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -13.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -81.506483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.506483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.506483 (E_RNA)
where:
Base-Base interactions energy: -37.222
where: short stacking energy: -37.222
Base-Backbone interact. energy: 0.891
local terms energy: -45.175386
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -10.140
flat angles P-C4'-P energy: -4.174
tors. eta vs tors. theta energy: -6.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -91.310181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.310181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.310181 (E_RNA)
where:
Base-Base interactions energy: -55.344
where: short stacking energy: -28.562
Base-Backbone interact. energy: 1.354
local terms energy: -37.320514
where:
bonds (distance) C4'-P energy: -8.263
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -7.950
flat angles P-C4'-P energy: -6.483
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: 6, replica: 6
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -117.458686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.458686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.458686 (E_RNA)
where:
Base-Base interactions energy: -69.581
where: short stacking energy: -38.929
Base-Backbone interact. energy: -0.005
local terms energy: -47.873357
where:
bonds (distance) C4'-P energy: -9.233
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -7.203
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -9.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -70.236954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.236954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.236954 (E_RNA)
where:
Base-Base interactions energy: -27.649
where: short stacking energy: -21.630
Base-Backbone interact. energy: -0.209
local terms energy: -42.379083
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -4.618
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -4.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -71.123294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.123294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.123294 (E_RNA)
where:
Base-Base interactions energy: -30.104
where: short stacking energy: -15.458
Base-Backbone interact. energy: -0.275
local terms energy: -40.744317
where:
bonds (distance) C4'-P energy: -10.636
bonds (distance) P-C4' energy: -9.476
flat angles C4'-P-C4' energy: -11.140
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: 0.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -65.023939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.023939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.023939 (E_RNA)
where:
Base-Base interactions energy: -24.204
where: short stacking energy: -24.204
Base-Backbone interact. energy: -0.103
local terms energy: -40.717203
where:
bonds (distance) C4'-P energy: -9.845
bonds (distance) P-C4' energy: -10.461
flat angles C4'-P-C4' energy: -10.276
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -0.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -90.276824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.276824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.276824 (E_RNA)
where:
Base-Base interactions energy: -44.453
where: short stacking energy: -22.351
Base-Backbone interact. energy: -0.296
local terms energy: -45.527332
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -9.304
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -5.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -141.190506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.190506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.190506 (E_RNA)
where:
Base-Base interactions energy: -82.677
where: short stacking energy: -52.038
Base-Backbone interact. energy: -0.057
local terms energy: -58.456899
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -11.278
flat angles P-C4'-P energy: -7.775
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: 2, replica: 10
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -127.440589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.440589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.440589 (E_RNA)
where:
Base-Base interactions energy: -78.503
where: short stacking energy: -51.095
Base-Backbone interact. energy: -0.005
local terms energy: -48.932833
where:
bonds (distance) C4'-P energy: -5.813
bonds (distance) P-C4' energy: -10.534
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -5.831
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: 3, replica: 3
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -90.525673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.525673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.525673 (E_RNA)
where:
Base-Base interactions energy: -43.915
where: short stacking energy: -43.915
Base-Backbone interact. energy: -0.113
local terms energy: -46.497415
where:
bonds (distance) C4'-P energy: -7.527
bonds (distance) P-C4' energy: -12.490
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -8.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -93.627996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.627996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.627996 (E_RNA)
where:
Base-Base interactions energy: -41.447
where: short stacking energy: -34.242
Base-Backbone interact. energy: -0.020
local terms energy: -52.161369
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -6.461
tors. eta vs tors. theta energy: -9.644
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: 6
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -117.615978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.615978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.615978 (E_RNA)
where:
Base-Base interactions energy: -68.113
where: short stacking energy: -33.365
Base-Backbone interact. energy: -0.003
local terms energy: -49.499688
where:
bonds (distance) C4'-P energy: -9.976
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -11.607
flat angles P-C4'-P energy: -6.685
tors. eta vs tors. theta energy: -7.950
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: 2
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -80.208215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.208215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.208215 (E_RNA)
where:
Base-Base interactions energy: -36.698
where: short stacking energy: -36.698
Base-Backbone interact. energy: -0.007
local terms energy: -43.502935
where:
bonds (distance) C4'-P energy: -8.706
bonds (distance) P-C4' energy: -11.007
flat angles C4'-P-C4' energy: -10.596
flat angles P-C4'-P energy: -8.088
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: 7, replica: 8
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -67.857840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.857840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.857840 (E_RNA)
where:
Base-Base interactions energy: -26.763
where: short stacking energy: -26.763
Base-Backbone interact. energy: -0.004
local terms energy: -41.091046
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -9.943
flat angles C4'-P-C4' energy: -8.201
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -4.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -83.014023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.014023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.014023 (E_RNA)
where:
Base-Base interactions energy: -36.412
where: short stacking energy: -36.412
Base-Backbone interact. energy: -0.051
local terms energy: -46.550772
where:
bonds (distance) C4'-P energy: -10.938
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -8.707
flat angles P-C4'-P energy: -3.937
tors. eta vs tors. theta energy: -11.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -83.624009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.624009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.624009 (E_RNA)
where:
Base-Base interactions energy: -40.257
where: short stacking energy: -17.768
Base-Backbone interact. energy: -0.153
local terms energy: -43.213668
where:
bonds (distance) C4'-P energy: -8.724
bonds (distance) P-C4' energy: -13.632
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -6.049
tors. eta vs tors. theta energy: -3.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -68.129976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.129976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.129976 (E_RNA)
where:
Base-Base interactions energy: -24.904
where: short stacking energy: -19.870
Base-Backbone interact. energy: -0.117
local terms energy: -43.108277
where:
bonds (distance) C4'-P energy: -8.909
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -11.093
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -3.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -140.602751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.602751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.602751 (E_RNA)
where:
Base-Base interactions energy: -87.906
where: short stacking energy: -48.204
Base-Backbone interact. energy: -0.149
local terms energy: -52.548326
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -10.563
flat angles C4'-P-C4' energy: -9.943
flat angles P-C4'-P energy: -5.384
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: 2, replica: 10
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -129.515426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.515426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.515426 (E_RNA)
where:
Base-Base interactions energy: -77.957
where: short stacking energy: -46.485
Base-Backbone interact. energy: -0.128
local terms energy: -51.430538
where:
bonds (distance) C4'-P energy: -10.080
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -11.170
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: -11.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -100.713017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.713017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.713017 (E_RNA)
where:
Base-Base interactions energy: -44.572
where: short stacking energy: -44.572
Base-Backbone interact. energy: -0.039
local terms energy: -56.101992
where:
bonds (distance) C4'-P energy: -9.899
bonds (distance) P-C4' energy: -11.090
flat angles C4'-P-C4' energy: -12.032
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -11.729
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: 6
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -119.006771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.006771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.006771 (E_RNA)
where:
Base-Base interactions energy: -67.961
where: short stacking energy: -43.378
Base-Backbone interact. energy: -0.047
local terms energy: -50.998068
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -10.090
flat angles P-C4'-P energy: -5.918
tors. eta vs tors. theta energy: -12.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -90.391188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.391188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.391188 (E_RNA)
where:
Base-Base interactions energy: -36.961
where: short stacking energy: -36.961
Base-Backbone interact. energy: -0.053
local terms energy: -53.376740
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -9.569
flat angles P-C4'-P energy: -11.071
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: 6, replica: 2
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -83.500327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.500327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.500327 (E_RNA)
where:
Base-Base interactions energy: -34.945
where: short stacking energy: -34.945
Base-Backbone interact. energy: -0.031
local terms energy: -48.524780
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -8.751
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -7.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -86.714337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.714337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.714337 (E_RNA)
where:
Base-Base interactions energy: -41.136
where: short stacking energy: -41.136
Base-Backbone interact. energy: 0.133
local terms energy: -45.711440
where:
bonds (distance) C4'-P energy: -8.123
bonds (distance) P-C4' energy: -9.004
flat angles C4'-P-C4' energy: -9.512
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -8.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -68.429965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.429965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.429965 (E_RNA)
where:
Base-Base interactions energy: -27.176
where: short stacking energy: -24.804
Base-Backbone interact. energy: -0.255
local terms energy: -40.999021
where:
bonds (distance) C4'-P energy: -5.336
bonds (distance) P-C4' energy: -10.687
flat angles C4'-P-C4' energy: -12.343
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -4.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -66.847374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.847374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.847374 (E_RNA)
where:
Base-Base interactions energy: -24.686
where: short stacking energy: -24.686
Base-Backbone interact. energy: -0.150
local terms energy: -42.010783
where:
bonds (distance) C4'-P energy: -9.195
bonds (distance) P-C4' energy: -11.211
flat angles C4'-P-C4' energy: -10.687
flat angles P-C4'-P energy: -7.281
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: 5
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -67.578070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.578070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.578070 (E_RNA)
where:
Base-Base interactions energy: -23.663
where: short stacking energy: -23.663
Base-Backbone interact. energy: -0.020
local terms energy: -43.894927
where:
bonds (distance) C4'-P energy: -9.862
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -9.367
flat angles P-C4'-P energy: -3.666
tors. eta vs tors. theta energy: -9.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -142.661224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.661224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.661224 (E_RNA)
where:
Base-Base interactions energy: -85.044
where: short stacking energy: -49.898
Base-Backbone interact. energy: -0.024
local terms energy: -57.593010
where:
bonds (distance) C4'-P energy: -11.534
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -11.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -140.598985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.598985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.598985 (E_RNA)
where:
Base-Base interactions energy: -84.773
where: short stacking energy: -50.172
Base-Backbone interact. energy: -0.099
local terms energy: -55.727432
where:
bonds (distance) C4'-P energy: -9.650
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -6.609
tors. eta vs tors. theta energy: -14.361
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: 6
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -126.416185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.416185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.416185 (E_RNA)
where:
Base-Base interactions energy: -70.822
where: short stacking energy: -41.293
Base-Backbone interact. energy: -0.032
local terms energy: -55.562082
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -10.121
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -10.690
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: 4, replica: 3
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -82.550935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.550935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.550935 (E_RNA)
where:
Base-Base interactions energy: -33.795
where: short stacking energy: -33.795
Base-Backbone interact. energy: -0.045
local terms energy: -48.711302
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -4.302
tors. eta vs tors. theta energy: -6.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -86.767075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.767075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.767075 (E_RNA)
where:
Base-Base interactions energy: -46.737
where: short stacking energy: -31.793
Base-Backbone interact. energy: 1.922
local terms energy: -41.952093
where:
bonds (distance) C4'-P energy: -9.716
bonds (distance) P-C4' energy: -9.253
flat angles C4'-P-C4' energy: -8.837
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -7.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -73.175070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.175070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.175070 (E_RNA)
where:
Base-Base interactions energy: -26.311
where: short stacking energy: -26.311
Base-Backbone interact. energy: -0.788
local terms energy: -46.075664
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -7.731
flat angles C4'-P-C4' energy: -11.433
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -6.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -75.368279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.368279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.368279 (E_RNA)
where:
Base-Base interactions energy: -31.381
where: short stacking energy: -28.475
Base-Backbone interact. energy: -0.144
local terms energy: -43.843098
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -11.388
flat angles P-C4'-P energy: -6.953
tors. eta vs tors. theta energy: -2.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -68.635501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.635501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.635501 (E_RNA)
where:
Base-Base interactions energy: -22.192
where: short stacking energy: -22.192
Base-Backbone interact. energy: 1.301
local terms energy: -47.744467
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -5.892
tors. eta vs tors. theta energy: -5.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -62.557913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.557913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.557913 (E_RNA)
where:
Base-Base interactions energy: -26.400
where: short stacking energy: -26.400
Base-Backbone interact. energy: -0.033
local terms energy: -36.124897
where:
bonds (distance) C4'-P energy: -10.876
bonds (distance) P-C4' energy: -10.837
flat angles C4'-P-C4' energy: -9.644
flat angles P-C4'-P energy: -5.311
tors. eta vs tors. theta energy: 0.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -58.162130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.162130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.162130 (E_RNA)
where:
Base-Base interactions energy: -20.507
where: short stacking energy: -20.507
Base-Backbone interact. energy: -0.256
local terms energy: -37.399912
where:
bonds (distance) C4'-P energy: -9.025
bonds (distance) P-C4' energy: -11.606
flat angles C4'-P-C4' energy: -11.972
flat angles P-C4'-P energy: -5.162
tors. eta vs tors. theta energy: 0.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -133.772172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.772172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.772172 (E_RNA)
where:
Base-Base interactions energy: -79.798
where: short stacking energy: -39.087
Base-Backbone interact. energy: -0.053
local terms energy: -53.920732
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -11.353
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -8.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -133.362777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.362777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.362777 (E_RNA)
where:
Base-Base interactions energy: -75.766
where: short stacking energy: -43.330
Base-Backbone interact. energy: 0.981
local terms energy: -58.578003
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -11.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -127.146009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.146009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.146009 (E_RNA)
where:
Base-Base interactions energy: -73.036
where: short stacking energy: -46.512
Base-Backbone interact. energy: -0.290
local terms energy: -53.819864
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -10.076
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -12.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -98.621781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.621781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.621781 (E_RNA)
where:
Base-Base interactions energy: -50.188
where: short stacking energy: -39.536
Base-Backbone interact. energy: -0.762
local terms energy: -47.671677
where:
bonds (distance) C4'-P energy: -10.263
bonds (distance) P-C4' energy: -10.318
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -4.248
tors. eta vs tors. theta energy: -9.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -85.525978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.525978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.525978 (E_RNA)
where:
Base-Base interactions energy: -37.299
where: short stacking energy: -37.299
Base-Backbone interact. energy: -0.224
local terms energy: -48.003218
where:
bonds (distance) C4'-P energy: -10.130
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -7.525
flat angles P-C4'-P energy: -7.172
tors. eta vs tors. theta energy: -10.076
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: 7
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -74.132930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.132930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.132930 (E_RNA)
where:
Base-Base interactions energy: -28.125
where: short stacking energy: -28.125
Base-Backbone interact. energy: -0.082
local terms energy: -45.926020
where:
bonds (distance) C4'-P energy: -11.219
bonds (distance) P-C4' energy: -9.544
flat angles C4'-P-C4' energy: -10.027
flat angles P-C4'-P energy: -4.818
tors. eta vs tors. theta energy: -10.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -73.020648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.020648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.020648 (E_RNA)
where:
Base-Base interactions energy: -29.148
where: short stacking energy: -28.766
Base-Backbone interact. energy: -0.072
local terms energy: -43.799970
where:
bonds (distance) C4'-P energy: -10.892
bonds (distance) P-C4' energy: -10.611
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -5.760
tors. eta vs tors. theta energy: -5.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -65.200714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.200714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.200714 (E_RNA)
where:
Base-Base interactions energy: -22.580
where: short stacking energy: -18.088
Base-Backbone interact. energy: -0.469
local terms energy: -42.152246
where:
bonds (distance) C4'-P energy: -9.518
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: 0.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -65.646602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.646602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.646602 (E_RNA)
where:
Base-Base interactions energy: -23.617
where: short stacking energy: -22.625
Base-Backbone interact. energy: -0.083
local terms energy: -41.946885
where:
bonds (distance) C4'-P energy: -6.855
bonds (distance) P-C4' energy: -10.443
flat angles C4'-P-C4' energy: -11.642
flat angles P-C4'-P energy: -6.183
tors. eta vs tors. theta energy: -6.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -59.247320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.247320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.247320 (E_RNA)
where:
Base-Base interactions energy: -17.780
where: short stacking energy: -17.780
Base-Backbone interact. energy: -0.183
local terms energy: -41.284165
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -9.538
flat angles C4'-P-C4' energy: -10.998
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: 0.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -147.369208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.369208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.369208 (E_RNA)
where:
Base-Base interactions energy: -90.133
where: short stacking energy: -57.133
Base-Backbone interact. energy: -0.019
local terms energy: -57.217683
where:
bonds (distance) C4'-P energy: -8.392
bonds (distance) P-C4' energy: -11.203
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -14.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -132.891474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.891474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.891474 (E_RNA)
where:
Base-Base interactions energy: -73.752
where: short stacking energy: -47.398
Base-Backbone interact. energy: -0.014
local terms energy: -59.125763
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -9.788
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -14.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -124.355157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.355157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.355157 (E_RNA)
where:
Base-Base interactions energy: -66.675
where: short stacking energy: -42.856
Base-Backbone interact. energy: -0.006
local terms energy: -57.674576
where:
bonds (distance) C4'-P energy: -10.730
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -12.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -92.140263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.140263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.140263 (E_RNA)
where:
Base-Base interactions energy: -40.745
where: short stacking energy: -40.745
Base-Backbone interact. energy: -0.007
local terms energy: -51.388240
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -10.036
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -8.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -92.306612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.306612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.306612 (E_RNA)
where:
Base-Base interactions energy: -46.204
where: short stacking energy: -46.204
Base-Backbone interact. energy: -0.008
local terms energy: -46.094679
where:
bonds (distance) C4'-P energy: -10.217
bonds (distance) P-C4' energy: -8.899
flat angles C4'-P-C4' energy: -8.900
flat angles P-C4'-P energy: -6.892
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: 6, replica: 9
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -78.562356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.562356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.562356 (E_RNA)
where:
Base-Base interactions energy: -29.526
where: short stacking energy: -25.499
Base-Backbone interact. energy: -0.085
local terms energy: -48.950612
where:
bonds (distance) C4'-P energy: -8.487
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -5.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -69.494897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.494897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.494897 (E_RNA)
where:
Base-Base interactions energy: -31.429
where: short stacking energy: -28.357
Base-Backbone interact. energy: -0.044
local terms energy: -38.021848
where:
bonds (distance) C4'-P energy: -6.111
bonds (distance) P-C4' energy: -9.420
flat angles C4'-P-C4' energy: -7.944
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: -6.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -70.060654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.060654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.060654 (E_RNA)
where:
Base-Base interactions energy: -27.638
where: short stacking energy: -27.638
Base-Backbone interact. energy: -0.024
local terms energy: -42.398942
where:
bonds (distance) C4'-P energy: -9.510
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -9.964
flat angles P-C4'-P energy: -4.132
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: 9, replica: 5
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -63.537416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.537416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.537416 (E_RNA)
where:
Base-Base interactions energy: -22.449
where: short stacking energy: -22.449
Base-Backbone interact. energy: -0.322
local terms energy: -40.766706
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -10.538
flat angles P-C4'-P energy: -1.697
tors. eta vs tors. theta energy: -4.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -58.068772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.068772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.068772 (E_RNA)
where:
Base-Base interactions energy: -19.090
where: short stacking energy: -19.090
Base-Backbone interact. energy: -0.034
local terms energy: -38.944683
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -10.396
flat angles P-C4'-P energy: -5.817
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: 10
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -138.671985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.671985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.671985 (E_RNA)
where:
Base-Base interactions energy: -77.332
where: short stacking energy: -47.444
Base-Backbone interact. energy: -0.153
local terms energy: -61.187393
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -14.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -116.573126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.573126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.573126 (E_RNA)
where:
Base-Base interactions energy: -71.672
where: short stacking energy: -41.146
Base-Backbone interact. energy: -0.020
local terms energy: -44.881192
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -9.820
flat angles C4'-P-C4' energy: -12.518
flat angles P-C4'-P energy: -1.209
tors. eta vs tors. theta energy: -8.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -131.874941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.874941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.874941 (E_RNA)
where:
Base-Base interactions energy: -75.474
where: short stacking energy: -44.414
Base-Backbone interact. energy: 0.183
local terms energy: -56.583729
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -11.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -100.236987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.236987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.236987 (E_RNA)
where:
Base-Base interactions energy: -43.533
where: short stacking energy: -43.533
Base-Backbone interact. energy: -0.004
local terms energy: -56.699468
where:
bonds (distance) C4'-P energy: -9.431
bonds (distance) P-C4' energy: -10.878
flat angles C4'-P-C4' energy: -10.423
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -13.894
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: 7
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -79.083300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.083300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.083300 (E_RNA)
where:
Base-Base interactions energy: -32.143
where: short stacking energy: -32.143
Base-Backbone interact. energy: -0.076
local terms energy: -46.865023
where:
bonds (distance) C4'-P energy: -11.294
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -10.488
flat angles P-C4'-P energy: -5.768
tors. eta vs tors. theta energy: -8.887
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: 8
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -77.948588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.948588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.948588 (E_RNA)
where:
Base-Base interactions energy: -27.656
where: short stacking energy: -27.656
Base-Backbone interact. energy: -0.038
local terms energy: -50.253926
where:
bonds (distance) C4'-P energy: -9.716
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -6.713
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: 9
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -71.991053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.991053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.991053 (E_RNA)
where:
Base-Base interactions energy: -28.569
where: short stacking energy: -28.569
Base-Backbone interact. energy: -0.002
local terms energy: -43.420221
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -9.480
flat angles P-C4'-P energy: -5.891
tors. eta vs tors. theta energy: -4.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -77.515191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.515191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.515191 (E_RNA)
where:
Base-Base interactions energy: -31.496
where: short stacking energy: -29.327
Base-Backbone interact. energy: -0.097
local terms energy: -45.921474
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -10.985
flat angles C4'-P-C4' energy: -7.152
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -5.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -62.256681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.256681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.256681 (E_RNA)
where:
Base-Base interactions energy: -26.993
where: short stacking energy: -26.993
Base-Backbone interact. energy: -0.101
local terms energy: -35.163123
where:
bonds (distance) C4'-P energy: -4.789
bonds (distance) P-C4' energy: -9.477
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -1.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -61.325495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.325495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.325495 (E_RNA)
where:
Base-Base interactions energy: -16.671
where: short stacking energy: -16.671
Base-Backbone interact. energy: -0.045
local terms energy: -44.609374
where:
bonds (distance) C4'-P energy: -10.086
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -10.250
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: -6.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -139.223903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.223903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.223903 (E_RNA)
where:
Base-Base interactions energy: -81.182
where: short stacking energy: -53.315
Base-Backbone interact. energy: -0.084
local terms energy: -57.958456
where:
bonds (distance) C4'-P energy: -8.640
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -8.397
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: 2, replica: 6
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -124.946034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.946034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.946034 (E_RNA)
where:
Base-Base interactions energy: -72.220
where: short stacking energy: -42.587
Base-Backbone interact. energy: -0.209
local terms energy: -52.516914
where:
bonds (distance) C4'-P energy: -8.682
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -11.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -100.681223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.681223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.681223 (E_RNA)
where:
Base-Base interactions energy: -48.185
where: short stacking energy: -48.185
Base-Backbone interact. energy: -0.097
local terms energy: -52.399032
where:
bonds (distance) C4'-P energy: -6.650
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -11.255
flat angles P-C4'-P energy: -9.840
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: 4, replica: 4
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -119.346385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.346385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.346385 (E_RNA)
where:
Base-Base interactions energy: -67.280
where: short stacking energy: -38.274
Base-Backbone interact. energy: -0.094
local terms energy: -51.971941
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -7.697
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: -10.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -91.319497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.319497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.319497 (E_RNA)
where:
Base-Base interactions energy: -40.361
where: short stacking energy: -40.361
Base-Backbone interact. energy: -0.003
local terms energy: -50.955700
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -9.590
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -10.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -77.825035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.825035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.825035 (E_RNA)
where:
Base-Base interactions energy: -31.290
where: short stacking energy: -29.442
Base-Backbone interact. energy: -0.002
local terms energy: -46.533557
where:
bonds (distance) C4'-P energy: -7.029
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -9.211
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -9.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -68.801033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.801033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.801033 (E_RNA)
where:
Base-Base interactions energy: -31.757
where: short stacking energy: -31.757
Base-Backbone interact. energy: 1.490
local terms energy: -38.533933
where:
bonds (distance) C4'-P energy: -7.530
bonds (distance) P-C4' energy: -11.094
flat angles C4'-P-C4' energy: -8.418
flat angles P-C4'-P energy: -5.524
tors. eta vs tors. theta energy: -5.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -65.926882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.926882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.926882 (E_RNA)
where:
Base-Base interactions energy: -19.366
where: short stacking energy: -18.517
Base-Backbone interact. energy: -0.073
local terms energy: -46.488480
where:
bonds (distance) C4'-P energy: -9.589
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -11.541
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -4.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -63.723477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.723477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.723477 (E_RNA)
where:
Base-Base interactions energy: -30.161
where: short stacking energy: -23.082
Base-Backbone interact. energy: -0.109
local terms energy: -33.453621
where:
bonds (distance) C4'-P energy: -6.736
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -7.049
flat angles P-C4'-P energy: -7.292
tors. eta vs tors. theta energy: -0.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -68.267152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.267152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.267152 (E_RNA)
where:
Base-Base interactions energy: -24.658
where: short stacking energy: -24.658
Base-Backbone interact. energy: 0.013
local terms energy: -43.622160
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -8.757
flat angles P-C4'-P energy: -4.897
tors. eta vs tors. theta energy: -3.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -142.852539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.852539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.852539 (E_RNA)
where:
Base-Base interactions energy: -83.221
where: short stacking energy: -49.282
Base-Backbone interact. energy: -0.005
local terms energy: -59.627038
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -8.108
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: 2, replica: 6
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -133.468866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.468866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.468866 (E_RNA)
where:
Base-Base interactions energy: -77.125
where: short stacking energy: -46.158
Base-Backbone interact. energy: -0.226
local terms energy: -56.117901
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -10.943
flat angles C4'-P-C4' energy: -10.364
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -12.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -114.262079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.262079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.262079 (E_RNA)
where:
Base-Base interactions energy: -59.650
where: short stacking energy: -44.138
Base-Backbone interact. energy: -0.001
local terms energy: -54.610613
where:
bonds (distance) C4'-P energy: -10.383
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -4.484
tors. eta vs tors. theta energy: -10.730
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: 4
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -129.524486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.524486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.524486 (E_RNA)
where:
Base-Base interactions energy: -75.582
where: short stacking energy: -44.150
Base-Backbone interact. energy: -0.199
local terms energy: -53.743719
where:
bonds (distance) C4'-P energy: -9.373
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -10.144
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: -14.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -78.848510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.848510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.848510 (E_RNA)
where:
Base-Base interactions energy: -29.447
where: short stacking energy: -29.447
Base-Backbone interact. energy: 0.031
local terms energy: -49.431912
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -10.774
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -9.904
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: 6, replica: 5
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -94.874461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.874461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.874461 (E_RNA)
where:
Base-Base interactions energy: -49.631
where: short stacking energy: -30.149
Base-Backbone interact. energy: -0.359
local terms energy: -44.884316
where:
bonds (distance) C4'-P energy: -9.650
bonds (distance) P-C4' energy: -10.948
flat angles C4'-P-C4' energy: -10.962
flat angles P-C4'-P energy: -6.125
tors. eta vs tors. theta energy: -7.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -72.613026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.613026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.613026 (E_RNA)
where:
Base-Base interactions energy: -33.782
where: short stacking energy: -33.782
Base-Backbone interact. energy: -0.010
local terms energy: -38.821064
where:
bonds (distance) C4'-P energy: -4.820
bonds (distance) P-C4' energy: -6.966
flat angles C4'-P-C4' energy: -9.354
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -9.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -81.388648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.388648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.388648 (E_RNA)
where:
Base-Base interactions energy: -34.237
where: short stacking energy: -34.237
Base-Backbone interact. energy: -0.089
local terms energy: -47.062391
where:
bonds (distance) C4'-P energy: -8.674
bonds (distance) P-C4' energy: -12.124
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -6.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -66.727405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.727405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.727405 (E_RNA)
where:
Base-Base interactions energy: -21.384
where: short stacking energy: -21.384
Base-Backbone interact. energy: -0.098
local terms energy: -45.245284
where:
bonds (distance) C4'-P energy: -9.000
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -2.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -65.473181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.473181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.473181 (E_RNA)
where:
Base-Base interactions energy: -27.059
where: short stacking energy: -27.059
Base-Backbone interact. energy: -0.060
local terms energy: -38.353812
where:
bonds (distance) C4'-P energy: -5.730
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -10.134
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -4.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -142.326566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.326566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.326566 (E_RNA)
where:
Base-Base interactions energy: -83.145
where: short stacking energy: -52.757
Base-Backbone interact. energy: -0.001
local terms energy: -59.180165
where:
bonds (distance) C4'-P energy: -10.246
bonds (distance) P-C4' energy: -11.967
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -16.141
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: 6
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -128.414662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.414662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.414662 (E_RNA)
where:
Base-Base interactions energy: -70.843
where: short stacking energy: -37.570
Base-Backbone interact. energy: -0.009
local terms energy: -57.562224
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -8.655
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -12.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -128.658302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.658302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.658302 (E_RNA)
where:
Base-Base interactions energy: -77.042
where: short stacking energy: -43.266
Base-Backbone interact. energy: -0.118
local terms energy: -51.498428
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -8.970
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -6.126
tors. eta vs tors. theta energy: -12.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -104.179054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.179054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.179054 (E_RNA)
where:
Base-Base interactions energy: -56.598
where: short stacking energy: -43.881
Base-Backbone interact. energy: -0.023
local terms energy: -47.557970
where:
bonds (distance) C4'-P energy: -9.016
bonds (distance) P-C4' energy: -8.114
flat angles C4'-P-C4' energy: -11.394
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -9.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -100.593920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.593920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.593920 (E_RNA)
where:
Base-Base interactions energy: -44.209
where: short stacking energy: -41.607
Base-Backbone interact. energy: -0.031
local terms energy: -56.354371
where:
bonds (distance) C4'-P energy: -10.234
bonds (distance) P-C4' energy: -12.593
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -10.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -88.549684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.549684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.549684 (E_RNA)
where:
Base-Base interactions energy: -38.928
where: short stacking energy: -38.928
Base-Backbone interact. energy: -0.098
local terms energy: -49.523834
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -7.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -80.943838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.943838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.943838 (E_RNA)
where:
Base-Base interactions energy: -39.030
where: short stacking energy: -24.559
Base-Backbone interact. energy: -0.001
local terms energy: -41.912830
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -10.695
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -1.097
tors. eta vs tors. theta energy: -6.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -83.327590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.327590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.327590 (E_RNA)
where:
Base-Base interactions energy: -34.324
where: short stacking energy: -22.910
Base-Backbone interact. energy: -0.016
local terms energy: -48.987451
where:
bonds (distance) C4'-P energy: -11.770
bonds (distance) P-C4' energy: -12.994
flat angles C4'-P-C4' energy: -9.701
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -6.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -67.952285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.952285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.952285 (E_RNA)
where:
Base-Base interactions energy: -23.177
where: short stacking energy: -23.177
Base-Backbone interact. energy: -0.118
local terms energy: -44.656502
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -3.129
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: 1
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -65.778719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.778719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.778719 (E_RNA)
where:
Base-Base interactions energy: -27.671
where: short stacking energy: -24.409
Base-Backbone interact. energy: -0.113
local terms energy: -37.994805
where:
bonds (distance) C4'-P energy: -8.926
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -9.625
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -0.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -135.725036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.725036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.725036 (E_RNA)
where:
Base-Base interactions energy: -84.317
where: short stacking energy: -47.827
Base-Backbone interact. energy: -0.127
local terms energy: -51.281092
where:
bonds (distance) C4'-P energy: -9.870
bonds (distance) P-C4' energy: -8.484
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -13.844
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: 267
Temperature: 0.950000
Total energy: -127.552829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.552829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.552829 (E_RNA)
where:
Base-Base interactions energy: -72.514
where: short stacking energy: -41.293
Base-Backbone interact. energy: -0.084
local terms energy: -54.954660
where:
bonds (distance) C4'-P energy: -12.933
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -7.826
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -13.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -129.246669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.246669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.246669 (E_RNA)
where:
Base-Base interactions energy: -73.810
where: short stacking energy: -40.907
Base-Backbone interact. energy: -0.086
local terms energy: -55.350873
where:
bonds (distance) C4'-P energy: -8.077
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -12.678
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: 5
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -95.875055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.875055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.875055 (E_RNA)
where:
Base-Base interactions energy: -45.567
where: short stacking energy: -39.465
Base-Backbone interact. energy: -0.001
local terms energy: -50.306546
where:
bonds (distance) C4'-P energy: -11.795
bonds (distance) P-C4' energy: -11.224
flat angles C4'-P-C4' energy: -10.729
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: -9.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -96.947530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.947530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.947530 (E_RNA)
where:
Base-Base interactions energy: -48.113
where: short stacking energy: -36.674
Base-Backbone interact. energy: -0.059
local terms energy: -48.775380
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -5.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -76.459405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.459405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.459405 (E_RNA)
where:
Base-Base interactions energy: -35.269
where: short stacking energy: -30.674
Base-Backbone interact. energy: -0.127
local terms energy: -41.063798
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -10.499
flat angles C4'-P-C4' energy: -9.791
flat angles P-C4'-P energy: -2.344
tors. eta vs tors. theta energy: -4.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -72.755086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.755086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.755086 (E_RNA)
where:
Base-Base interactions energy: -34.440
where: short stacking energy: -28.182
Base-Backbone interact. energy: -0.049
local terms energy: -38.265556
where:
bonds (distance) C4'-P energy: -7.589
bonds (distance) P-C4' energy: -10.722
flat angles C4'-P-C4' energy: -8.669
flat angles P-C4'-P energy: -6.397
tors. eta vs tors. theta energy: -4.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -69.913239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.913239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.913239 (E_RNA)
where:
Base-Base interactions energy: -24.909
where: short stacking energy: -24.909
Base-Backbone interact. energy: 0.025
local terms energy: -45.029473
where:
bonds (distance) C4'-P energy: -10.001
bonds (distance) P-C4' energy: -10.136
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -3.770
tors. eta vs tors. theta energy: -8.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -62.096851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.096851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.096851 (E_RNA)
where:
Base-Base interactions energy: -25.847
where: short stacking energy: -25.847
Base-Backbone interact. energy: 2.722
local terms energy: -38.971860
where:
bonds (distance) C4'-P energy: -9.977
bonds (distance) P-C4' energy: -11.448
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -0.274
tors. eta vs tors. theta energy: -5.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -71.435118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.435118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.435118 (E_RNA)
where:
Base-Base interactions energy: -30.875
where: short stacking energy: -30.875
Base-Backbone interact. energy: -0.008
local terms energy: -40.552410
where:
bonds (distance) C4'-P energy: -8.664
bonds (distance) P-C4' energy: -8.173
flat angles C4'-P-C4' energy: -9.584
flat angles P-C4'-P energy: -6.848
tors. eta vs tors. theta energy: -7.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -141.410151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.410151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.410151 (E_RNA)
where:
Base-Base interactions energy: -81.322
where: short stacking energy: -55.654
Base-Backbone interact. energy: -0.040
local terms energy: -60.048277
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -8.068
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: 2, replica: 10
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -130.764815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.764815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.764815 (E_RNA)
where:
Base-Base interactions energy: -79.361
where: short stacking energy: -47.099
Base-Backbone interact. energy: -0.002
local terms energy: -51.401808
where:
bonds (distance) C4'-P energy: -10.044
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -7.859
flat angles P-C4'-P energy: -8.684
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: 3, replica: 4
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -127.024588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.024588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.024588 (E_RNA)
where:
Base-Base interactions energy: -72.897
where: short stacking energy: -40.150
Base-Backbone interact. energy: 0.391
local terms energy: -54.518780
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -10.348
flat angles C4'-P-C4' energy: -11.416
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -11.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -94.235465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.235465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.235465 (E_RNA)
where:
Base-Base interactions energy: -37.650
where: short stacking energy: -37.650
Base-Backbone interact. energy: -0.000
local terms energy: -56.585282
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -11.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -90.720228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.720228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.720228 (E_RNA)
where:
Base-Base interactions energy: -47.783
where: short stacking energy: -28.478
Base-Backbone interact. energy: -0.034
local terms energy: -42.903402
where:
bonds (distance) C4'-P energy: -7.894
bonds (distance) P-C4' energy: -12.525
flat angles C4'-P-C4' energy: -9.866
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -3.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -71.410870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.410870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.410870 (E_RNA)
where:
Base-Base interactions energy: -30.525
where: short stacking energy: -24.429
Base-Backbone interact. energy: -0.213
local terms energy: -40.672469
where:
bonds (distance) C4'-P energy: -10.368
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -6.730
flat angles P-C4'-P energy: -4.045
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -71.190525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.190525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.190525 (E_RNA)
where:
Base-Base interactions energy: -28.580
where: short stacking energy: -28.580
Base-Backbone interact. energy: -0.147
local terms energy: -42.463671
where:
bonds (distance) C4'-P energy: -5.308
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -6.014
tors. eta vs tors. theta energy: -6.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -61.806849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.806849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.806849 (E_RNA)
where:
Base-Base interactions energy: -18.192
where: short stacking energy: -18.192
Base-Backbone interact. energy: -0.084
local terms energy: -43.530915
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -12.318
flat angles C4'-P-C4' energy: -11.162
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -2.645
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: 1
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -64.831964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.831964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.831964 (E_RNA)
where:
Base-Base interactions energy: -26.562
where: short stacking energy: -26.562
Base-Backbone interact. energy: -0.081
local terms energy: -38.188882
where:
bonds (distance) C4'-P energy: -10.209
bonds (distance) P-C4' energy: -12.192
flat angles C4'-P-C4' energy: -5.662
flat angles P-C4'-P energy: -6.285
tors. eta vs tors. theta energy: -3.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -61.143525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.143525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.143525 (E_RNA)
where:
Base-Base interactions energy: -24.404
where: short stacking energy: -20.234
Base-Backbone interact. energy: 2.152
local terms energy: -38.891574
where:
bonds (distance) C4'-P energy: -9.836
bonds (distance) P-C4' energy: -10.380
flat angles C4'-P-C4' energy: -9.439
flat angles P-C4'-P energy: -6.738
tors. eta vs tors. theta energy: -2.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -138.049315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.049315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.049315 (E_RNA)
where:
Base-Base interactions energy: -76.184
where: short stacking energy: -48.703
Base-Backbone interact. energy: -0.189
local terms energy: -61.676280
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -9.968
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: 2, replica: 10
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -122.740197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.740197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.740197 (E_RNA)
where:
Base-Base interactions energy: -68.789
where: short stacking energy: -43.280
Base-Backbone interact. energy: -0.021
local terms energy: -53.931071
where:
bonds (distance) C4'-P energy: -9.719
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -10.239
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -10.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -123.932424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.932424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.932424 (E_RNA)
where:
Base-Base interactions energy: -66.541
where: short stacking energy: -37.216
Base-Backbone interact. energy: -0.108
local terms energy: -57.284256
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -10.066
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -10.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -93.252672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.252672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.252672 (E_RNA)
where:
Base-Base interactions energy: -46.415
where: short stacking energy: -30.555
Base-Backbone interact. energy: 0.664
local terms energy: -47.501152
where:
bonds (distance) C4'-P energy: -9.460
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -11.468
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -4.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -89.702573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.702573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.702573 (E_RNA)
where:
Base-Base interactions energy: -43.547
where: short stacking energy: -33.331
Base-Backbone interact. energy: 0.263
local terms energy: -46.418701
where:
bonds (distance) C4'-P energy: -9.780
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -11.359
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -5.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -77.777507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.777507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.777507 (E_RNA)
where:
Base-Base interactions energy: -32.254
where: short stacking energy: -26.379
Base-Backbone interact. energy: 0.153
local terms energy: -45.675919
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -10.097
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -2.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -77.293119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.293119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.293119 (E_RNA)
where:
Base-Base interactions energy: -26.451
where: short stacking energy: -26.451
Base-Backbone interact. energy: -0.077
local terms energy: -50.764898
where:
bonds (distance) C4'-P energy: -10.222
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -9.684
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -8.458
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: 1
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -68.356138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.356138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.356138 (E_RNA)
where:
Base-Base interactions energy: -22.386
where: short stacking energy: -22.386
Base-Backbone interact. energy: 0.455
local terms energy: -46.425484
where:
bonds (distance) C4'-P energy: -5.643
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -5.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -59.799738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.799738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.799738 (E_RNA)
where:
Base-Base interactions energy: -24.968
where: short stacking energy: -24.968
Base-Backbone interact. energy: -0.022
local terms energy: -34.810195
where:
bonds (distance) C4'-P energy: -11.443
bonds (distance) P-C4' energy: -6.504
flat angles C4'-P-C4' energy: -11.601
flat angles P-C4'-P energy: -6.379
tors. eta vs tors. theta energy: 1.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -69.313570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.313570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.313570 (E_RNA)
where:
Base-Base interactions energy: -26.407
where: short stacking energy: -26.407
Base-Backbone interact. energy: -0.075
local terms energy: -42.831662
where:
bonds (distance) C4'-P energy: -8.160
bonds (distance) P-C4' energy: -10.302
flat angles C4'-P-C4' energy: -10.269
flat angles P-C4'-P energy: -8.262
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: 1, replica: 10
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -118.619777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.619777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.619777 (E_RNA)
where:
Base-Base interactions energy: -66.982
where: short stacking energy: -36.454
Base-Backbone interact. energy: -0.109
local terms energy: -51.528625
where:
bonds (distance) C4'-P energy: -5.646
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -10.035
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -9.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -134.477422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.477422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.477422 (E_RNA)
where:
Base-Base interactions energy: -77.780
where: short stacking energy: -47.658
Base-Backbone interact. energy: -0.008
local terms energy: -56.689191
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -7.562
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -13.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -123.248381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.248381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.248381 (E_RNA)
where:
Base-Base interactions energy: -67.088
where: short stacking energy: -38.030
Base-Backbone interact. energy: -0.044
local terms energy: -56.116388
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -10.108
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -13.068
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: 9
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -103.064073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.064073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.064073 (E_RNA)
where:
Base-Base interactions energy: -51.399
where: short stacking energy: -39.283
Base-Backbone interact. energy: -0.001
local terms energy: -51.663798
where:
bonds (distance) C4'-P energy: -10.622
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -6.358
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -11.329
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: 5, replica: 5
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -78.374574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.374574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.374574 (E_RNA)
where:
Base-Base interactions energy: -35.203
where: short stacking energy: -35.203
Base-Backbone interact. energy: -0.125
local terms energy: -43.046782
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -11.515
flat angles C4'-P-C4' energy: -10.493
flat angles P-C4'-P energy: -4.825
tors. eta vs tors. theta energy: -4.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -72.824561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.824561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.824561 (E_RNA)
where:
Base-Base interactions energy: -29.398
where: short stacking energy: -29.398
Base-Backbone interact. energy: -0.015
local terms energy: -43.411286
where:
bonds (distance) C4'-P energy: -6.057
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -8.840
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -6.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -74.000109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.000109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.000109 (E_RNA)
where:
Base-Base interactions energy: -30.346
where: short stacking energy: -30.346
Base-Backbone interact. energy: -0.109
local terms energy: -43.545769
where:
bonds (distance) C4'-P energy: -5.805
bonds (distance) P-C4' energy: -11.863
flat angles C4'-P-C4' energy: -10.191
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: -8.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -71.549529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.549529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.549529 (E_RNA)
where:
Base-Base interactions energy: -28.146
where: short stacking energy: -28.146
Base-Backbone interact. energy: 1.286
local terms energy: -44.689558
where:
bonds (distance) C4'-P energy: -9.436
bonds (distance) P-C4' energy: -12.488
flat angles C4'-P-C4' energy: -9.560
flat angles P-C4'-P energy: -4.695
tors. eta vs tors. theta energy: -8.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -62.439541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.439541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.439541 (E_RNA)
where:
Base-Base interactions energy: -25.494
where: short stacking energy: -25.494
Base-Backbone interact. energy: -0.089
local terms energy: -36.856502
where:
bonds (distance) C4'-P energy: -9.245
bonds (distance) P-C4' energy: -9.065
flat angles C4'-P-C4' energy: -10.779
flat angles P-C4'-P energy: -4.618
tors. eta vs tors. theta energy: -3.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -58.909559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.909559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.909559 (E_RNA)
where:
Base-Base interactions energy: -21.869
where: short stacking energy: -21.217
Base-Backbone interact. energy: -0.058
local terms energy: -36.982151
where:
bonds (distance) C4'-P energy: -8.748
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -4.946
tors. eta vs tors. theta energy: 3.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -130.371207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.371207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.371207 (E_RNA)
where:
Base-Base interactions energy: -77.296
where: short stacking energy: -44.170
Base-Backbone interact. energy: 0.424
local terms energy: -53.499400
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -10.178
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -5.425
tors. eta vs tors. theta energy: -12.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -123.475092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.475092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.475092 (E_RNA)
where:
Base-Base interactions energy: -69.187
where: short stacking energy: -39.324
Base-Backbone interact. energy: -0.118
local terms energy: -54.169672
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -11.919
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -9.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -133.080031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.080031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.080031 (E_RNA)
where:
Base-Base interactions energy: -73.181
where: short stacking energy: -44.558
Base-Backbone interact. energy: -0.004
local terms energy: -59.894205
where:
bonds (distance) C4'-P energy: -9.750
bonds (distance) P-C4' energy: -13.368
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -8.821
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: 9
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -81.482844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.482844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.482844 (E_RNA)
where:
Base-Base interactions energy: -35.198
where: short stacking energy: -35.198
Base-Backbone interact. energy: -0.005
local terms energy: -46.279832
where:
bonds (distance) C4'-P energy: -9.726
bonds (distance) P-C4' energy: -9.225
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -6.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -72.932989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.932989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.932989 (E_RNA)
where:
Base-Base interactions energy: -30.746
where: short stacking energy: -30.677
Base-Backbone interact. energy: -0.183
local terms energy: -42.003882
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -10.015
flat angles P-C4'-P energy: -4.629
tors. eta vs tors. theta energy: -3.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -74.274183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.274183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.274183 (E_RNA)
where:
Base-Base interactions energy: -28.195
where: short stacking energy: -27.871
Base-Backbone interact. energy: -0.101
local terms energy: -45.978095
where:
bonds (distance) C4'-P energy: -11.148
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -10.538
flat angles P-C4'-P energy: -5.933
tors. eta vs tors. theta energy: -5.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -95.103552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.103552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.103552 (E_RNA)
where:
Base-Base interactions energy: -53.544
where: short stacking energy: -31.163
Base-Backbone interact. energy: -0.097
local terms energy: -41.462343
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -9.588
flat angles C4'-P-C4' energy: -10.154
flat angles P-C4'-P energy: -6.124
tors. eta vs tors. theta energy: -4.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -70.508147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.508147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.508147 (E_RNA)
where:
Base-Base interactions energy: -32.587
where: short stacking energy: -19.196
Base-Backbone interact. energy: -0.758
local terms energy: -37.163474
where:
bonds (distance) C4'-P energy: -9.030
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -7.686
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -1.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -67.180186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.180186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.180186 (E_RNA)
where:
Base-Base interactions energy: -25.934
where: short stacking energy: -24.632
Base-Backbone interact. energy: -0.185
local terms energy: -41.061162
where:
bonds (distance) C4'-P energy: -9.034
bonds (distance) P-C4' energy: -10.952
flat angles C4'-P-C4' energy: -9.866
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: -4.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -58.121417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.121417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.121417 (E_RNA)
where:
Base-Base interactions energy: -23.590
where: short stacking energy: -21.615
Base-Backbone interact. energy: -0.293
local terms energy: -34.238289
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -8.600
flat angles C4'-P-C4' energy: -9.488
flat angles P-C4'-P energy: -4.314
tors. eta vs tors. theta energy: -1.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -131.367571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.367571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.367571 (E_RNA)
where:
Base-Base interactions energy: -74.325
where: short stacking energy: -45.006
Base-Backbone interact. energy: -0.002
local terms energy: -57.040565
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -12.108
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -10.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -125.582152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.582152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.582152 (E_RNA)
where:
Base-Base interactions energy: -65.645
where: short stacking energy: -40.486
Base-Backbone interact. energy: -0.368
local terms energy: -59.568228
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -10.349
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: 9
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -101.733734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.733734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.733734 (E_RNA)
where:
Base-Base interactions energy: -47.241
where: short stacking energy: -38.210
Base-Backbone interact. energy: -0.029
local terms energy: -54.463241
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -6.612
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: 4, replica: 6
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -143.848003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.848003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.848003 (E_RNA)
where:
Base-Base interactions energy: -87.379
where: short stacking energy: -56.307
Base-Backbone interact. energy: -0.076
local terms energy: -56.393114
where:
bonds (distance) C4'-P energy: -5.758
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -15.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -85.073529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.073529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.073529 (E_RNA)
where:
Base-Base interactions energy: -32.769
where: short stacking energy: -32.769
Base-Backbone interact. energy: -0.001
local terms energy: -52.304326
where:
bonds (distance) C4'-P energy: -6.764
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -10.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -69.792117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.792117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.792117 (E_RNA)
where:
Base-Base interactions energy: -25.516
where: short stacking energy: -25.516
Base-Backbone interact. energy: -0.011
local terms energy: -44.265409
where:
bonds (distance) C4'-P energy: -10.536
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -3.426
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: 7, replica: 3
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -103.711017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.711017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.711017 (E_RNA)
where:
Base-Base interactions energy: -56.929
where: short stacking energy: -28.538
Base-Backbone interact. energy: -0.864
local terms energy: -45.918292
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -11.196
flat angles C4'-P-C4' energy: -9.355
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: -6.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -74.924747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.924747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.924747 (E_RNA)
where:
Base-Base interactions energy: -27.041
where: short stacking energy: -27.041
Base-Backbone interact. energy: -0.005
local terms energy: -47.879219
where:
bonds (distance) C4'-P energy: -8.458
bonds (distance) P-C4' energy: -12.274
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -5.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -77.598459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.598459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.598459 (E_RNA)
where:
Base-Base interactions energy: -28.489
where: short stacking energy: -28.489
Base-Backbone interact. energy: -0.129
local terms energy: -48.981349
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -9.559
flat angles C4'-P-C4' energy: -11.331
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: -8.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -62.139046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.139046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.139046 (E_RNA)
where:
Base-Base interactions energy: -22.461
where: short stacking energy: -22.336
Base-Backbone interact. energy: -0.008
local terms energy: -39.669892
where:
bonds (distance) C4'-P energy: -8.297
bonds (distance) P-C4' energy: -9.282
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -7.922
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: 1, replica: 4
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -133.073360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.073360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.073360 (E_RNA)
where:
Base-Base interactions energy: -75.439
where: short stacking energy: -41.775
Base-Backbone interact. energy: -0.030
local terms energy: -57.603875
where:
bonds (distance) C4'-P energy: -11.786
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -12.301
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: 10
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -130.067152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.067152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.067152 (E_RNA)
where:
Base-Base interactions energy: -77.356
where: short stacking energy: -42.892
Base-Backbone interact. energy: -0.150
local terms energy: -52.560651
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -11.513
flat angles C4'-P-C4' energy: -11.057
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -9.495
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: 3, replica: 9
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -92.903056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.903056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.903056 (E_RNA)
where:
Base-Base interactions energy: -41.894
where: short stacking energy: -41.894
Base-Backbone interact. energy: -0.040
local terms energy: -50.968942
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -10.659
flat angles C4'-P-C4' energy: -8.383
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -9.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -83.243229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.243229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.243229 (E_RNA)
where:
Base-Base interactions energy: -34.721
where: short stacking energy: -34.721
Base-Backbone interact. energy: -0.091
local terms energy: -48.431779
where:
bonds (distance) C4'-P energy: -5.538
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -10.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -132.416269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.416269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.416269 (E_RNA)
where:
Base-Base interactions energy: -81.079
where: short stacking energy: -51.124
Base-Backbone interact. energy: -0.052
local terms energy: -51.285629
where:
bonds (distance) C4'-P energy: -11.310
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -9.516
flat angles P-C4'-P energy: -3.340
tors. eta vs tors. theta energy: -14.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -79.755538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.755538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.755538 (E_RNA)
where:
Base-Base interactions energy: -34.031
where: short stacking energy: -34.031
Base-Backbone interact. energy: -0.001
local terms energy: -45.723438
where:
bonds (distance) C4'-P energy: -11.140
bonds (distance) P-C4' energy: -10.783
flat angles C4'-P-C4' energy: -10.166
flat angles P-C4'-P energy: -6.854
tors. eta vs tors. theta energy: -6.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -100.997784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.997784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.997784 (E_RNA)
where:
Base-Base interactions energy: -56.641
where: short stacking energy: -32.268
Base-Backbone interact. energy: -0.119
local terms energy: -44.237881
where:
bonds (distance) C4'-P energy: -8.405
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -9.724
flat angles P-C4'-P energy: -9.705
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: 8, replica: 8
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -86.974193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.974193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.974193 (E_RNA)
where:
Base-Base interactions energy: -38.565
where: short stacking energy: -38.565
Base-Backbone interact. energy: -0.007
local terms energy: -48.402099
where:
bonds (distance) C4'-P energy: -10.767
bonds (distance) P-C4' energy: -10.468
flat angles C4'-P-C4' energy: -9.723
flat angles P-C4'-P energy: -5.775
tors. eta vs tors. theta energy: -11.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -60.954846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.954846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.954846 (E_RNA)
where:
Base-Base interactions energy: -22.339
where: short stacking energy: -22.339
Base-Backbone interact. energy: 0.830
local terms energy: -39.446701
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -7.160
flat angles P-C4'-P energy: -6.169
tors. eta vs tors. theta energy: -1.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -58.996833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.996833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.996833 (E_RNA)
where:
Base-Base interactions energy: -19.041
where: short stacking energy: -15.981
Base-Backbone interact. energy: 0.639
local terms energy: -40.595207
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -11.635
flat angles C4'-P-C4' energy: -8.111
flat angles P-C4'-P energy: -4.573
tors. eta vs tors. theta energy: -1.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -133.039315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.039315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.039315 (E_RNA)
where:
Base-Base interactions energy: -78.992
where: short stacking energy: -45.303
Base-Backbone interact. energy: -0.099
local terms energy: -53.948741
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: -9.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -136.330955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.330955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.330955 (E_RNA)
where:
Base-Base interactions energy: -81.262
where: short stacking energy: -52.043
Base-Backbone interact. energy: -0.099
local terms energy: -54.969871
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -11.611
flat angles C4'-P-C4' energy: -7.657
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -15.138
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: 9
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -100.390589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.390589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.390589 (E_RNA)
where:
Base-Base interactions energy: -47.660
where: short stacking energy: -47.660
Base-Backbone interact. energy: -0.093
local terms energy: -52.637798
where:
bonds (distance) C4'-P energy: -11.729
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -9.795
flat angles P-C4'-P energy: -7.995
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: 4, replica: 1
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -76.935168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.935168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.935168 (E_RNA)
where:
Base-Base interactions energy: -26.474
where: short stacking energy: -25.524
Base-Backbone interact. energy: -0.059
local terms energy: -50.401888
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -10.515
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -9.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -125.143446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.143446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.143446 (E_RNA)
where:
Base-Base interactions energy: -75.356
where: short stacking energy: -42.551
Base-Backbone interact. energy: -0.002
local terms energy: -49.786206
where:
bonds (distance) C4'-P energy: -10.743
bonds (distance) P-C4' energy: -10.133
flat angles C4'-P-C4' energy: -10.052
flat angles P-C4'-P energy: -6.543
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: 6, replica: 5
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -77.341853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.341853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.341853 (E_RNA)
where:
Base-Base interactions energy: -34.856
where: short stacking energy: -28.562
Base-Backbone interact. energy: -0.113
local terms energy: -42.372549
where:
bonds (distance) C4'-P energy: -8.281
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -10.148
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -0.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -103.988519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.988519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.988519 (E_RNA)
where:
Base-Base interactions energy: -54.814
where: short stacking energy: -26.859
Base-Backbone interact. energy: -0.024
local terms energy: -49.150206
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -11.863
flat angles C4'-P-C4' energy: -11.546
flat angles P-C4'-P energy: -6.809
tors. eta vs tors. theta energy: -6.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -67.644048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.644048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.644048 (E_RNA)
where:
Base-Base interactions energy: -25.480
where: short stacking energy: -23.673
Base-Backbone interact. energy: -0.112
local terms energy: -42.051815
where:
bonds (distance) C4'-P energy: -11.016
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -4.987
tors. eta vs tors. theta energy: -1.407
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: 274
Temperature: 1.300000
Total energy: -58.732044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.732044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.732044 (E_RNA)
where:
Base-Base interactions energy: -18.671
where: short stacking energy: -15.610
Base-Backbone interact. energy: -0.044
local terms energy: -40.017230
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -8.874
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: 1.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -60.138622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.138622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.138622 (E_RNA)
where:
Base-Base interactions energy: -14.758
where: short stacking energy: -14.758
Base-Backbone interact. energy: -0.105
local terms energy: -45.276004
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -10.028
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: 0.818
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: 1, replica: 10
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -135.567715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.567715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.567715 (E_RNA)
where:
Base-Base interactions energy: -72.499
where: short stacking energy: -46.655
Base-Backbone interact. energy: -0.816
local terms energy: -62.253121
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -11.583
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: 4
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -132.624179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.624179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.624179 (E_RNA)
where:
Base-Base interactions energy: -75.223
where: short stacking energy: -38.443
Base-Backbone interact. energy: -0.071
local terms energy: -57.330482
where:
bonds (distance) C4'-P energy: -10.619
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -11.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -92.494395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.494395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.494395 (E_RNA)
where:
Base-Base interactions energy: -37.918
where: short stacking energy: -37.918
Base-Backbone interact. energy: -0.021
local terms energy: -54.556149
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -9.813
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -10.613
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: 4, replica: 6
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -115.480432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.480432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.480432 (E_RNA)
where:
Base-Base interactions energy: -74.527
where: short stacking energy: -38.914
Base-Backbone interact. energy: -0.034
local terms energy: -40.919672
where:
bonds (distance) C4'-P energy: -10.281
bonds (distance) P-C4' energy: -6.071
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -4.824
tors. eta vs tors. theta energy: -7.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -82.958065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.958065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.958065 (E_RNA)
where:
Base-Base interactions energy: -31.549
where: short stacking energy: -31.549
Base-Backbone interact. energy: -0.102
local terms energy: -51.307236
where:
bonds (distance) C4'-P energy: -9.933
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -9.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -106.601873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.601873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.601873 (E_RNA)
where:
Base-Base interactions energy: -56.460
where: short stacking energy: -30.778
Base-Backbone interact. energy: -0.012
local terms energy: -50.129763
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -4.388
tors. eta vs tors. theta energy: -10.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -72.320849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.320849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.320849 (E_RNA)
where:
Base-Base interactions energy: -30.704
where: short stacking energy: -30.669
Base-Backbone interact. energy: -0.024
local terms energy: -41.592720
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -10.535
flat angles C4'-P-C4' energy: -10.132
flat angles P-C4'-P energy: -5.548
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: 8, replica: 2
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -73.732884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.732884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.732884 (E_RNA)
where:
Base-Base interactions energy: -27.188
where: short stacking energy: -27.188
Base-Backbone interact. energy: -0.008
local terms energy: -46.536572
where:
bonds (distance) C4'-P energy: -9.037
bonds (distance) P-C4' energy: -11.991
flat angles C4'-P-C4' energy: -10.668
flat angles P-C4'-P energy: -5.590
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: 9, replica: 8
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -67.385408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.385408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.385408 (E_RNA)
where:
Base-Base interactions energy: -21.124
where: short stacking energy: -21.124
Base-Backbone interact. energy: -0.002
local terms energy: -46.259700
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -8.660
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -4.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -70.410169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.410169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.410169 (E_RNA)
where:
Base-Base interactions energy: -30.293
where: short stacking energy: -30.293
Base-Backbone interact. energy: -0.099
local terms energy: -40.018385
where:
bonds (distance) C4'-P energy: -6.943
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -4.326
tors. eta vs tors. theta energy: -5.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -148.820698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.820698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.820698 (E_RNA)
where:
Base-Base interactions energy: -82.969
where: short stacking energy: -50.369
Base-Backbone interact. energy: -0.038
local terms energy: -65.813189
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -14.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -132.946703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.946703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.946703 (E_RNA)
where:
Base-Base interactions energy: -75.175
where: short stacking energy: -43.915
Base-Backbone interact. energy: 1.357
local terms energy: -59.128017
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -10.444
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -14.110
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: 6
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -133.866030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.866030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.866030 (E_RNA)
where:
Base-Base interactions energy: -77.514
where: short stacking energy: -42.427
Base-Backbone interact. energy: -0.106
local terms energy: -56.245781
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: -14.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -100.940355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.940355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.940355 (E_RNA)
where:
Base-Base interactions energy: -48.460
where: short stacking energy: -48.460
Base-Backbone interact. energy: -0.629
local terms energy: -51.851751
where:
bonds (distance) C4'-P energy: -10.992
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -4.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -84.117777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.117777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.117777 (E_RNA)
where:
Base-Base interactions energy: -33.598
where: short stacking energy: -25.110
Base-Backbone interact. energy: -0.228
local terms energy: -50.291242
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -5.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -82.942576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.942576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.942576 (E_RNA)
where:
Base-Base interactions energy: -36.058
where: short stacking energy: -36.058
Base-Backbone interact. energy: -0.438
local terms energy: -46.446950
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -8.739
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: -5.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -70.074170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.074170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.074170 (E_RNA)
where:
Base-Base interactions energy: -22.731
where: short stacking energy: -21.270
Base-Backbone interact. energy: -0.246
local terms energy: -47.097825
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -0.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -66.303027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.303027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.303027 (E_RNA)
where:
Base-Base interactions energy: -26.620
where: short stacking energy: -26.620
Base-Backbone interact. energy: -0.044
local terms energy: -39.638637
where:
bonds (distance) C4'-P energy: -7.589
bonds (distance) P-C4' energy: -9.731
flat angles C4'-P-C4' energy: -11.143
flat angles P-C4'-P energy: -6.411
tors. eta vs tors. theta energy: -4.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -69.551407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.551407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.551407 (E_RNA)
where:
Base-Base interactions energy: -27.562
where: short stacking energy: -23.794
Base-Backbone interact. energy: -0.102
local terms energy: -41.887357
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -9.088
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -1.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -60.040910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.040910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.040910 (E_RNA)
where:
Base-Base interactions energy: -25.514
where: short stacking energy: -16.061
Base-Backbone interact. energy: -0.097
local terms energy: -34.429594
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -10.847
flat angles C4'-P-C4' energy: -5.893
flat angles P-C4'-P energy: -6.369
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: 10
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -138.679281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.679281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.679281 (E_RNA)
where:
Base-Base interactions energy: -80.603
where: short stacking energy: -51.072
Base-Backbone interact. energy: -0.003
local terms energy: -58.072841
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -11.227
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: -13.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -129.726927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.726927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.726927 (E_RNA)
where:
Base-Base interactions energy: -75.431
where: short stacking energy: -49.256
Base-Backbone interact. energy: -0.017
local terms energy: -54.279112
where:
bonds (distance) C4'-P energy: -10.885
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -11.629
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -8.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -118.267091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.267091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.267091 (E_RNA)
where:
Base-Base interactions energy: -66.611
where: short stacking energy: -38.209
Base-Backbone interact. energy: -0.006
local terms energy: -51.650137
where:
bonds (distance) C4'-P energy: -9.638
bonds (distance) P-C4' energy: -10.079
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -9.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -88.905986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.905986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.905986 (E_RNA)
where:
Base-Base interactions energy: -43.086
where: short stacking energy: -33.127
Base-Backbone interact. energy: -0.090
local terms energy: -45.729458
where:
bonds (distance) C4'-P energy: -7.732
bonds (distance) P-C4' energy: -12.181
flat angles C4'-P-C4' energy: -8.920
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -9.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -79.444577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.444577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.444577 (E_RNA)
where:
Base-Base interactions energy: -26.809
where: short stacking energy: -26.809
Base-Backbone interact. energy: -0.002
local terms energy: -52.633988
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -11.460
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -8.211
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: 2
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -83.510174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.510174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.510174 (E_RNA)
where:
Base-Base interactions energy: -40.285
where: short stacking energy: -34.887
Base-Backbone interact. energy: -0.319
local terms energy: -42.905702
where:
bonds (distance) C4'-P energy: -7.014
bonds (distance) P-C4' energy: -11.592
flat angles C4'-P-C4' energy: -9.538
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -6.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -78.685214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.685214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.685214 (E_RNA)
where:
Base-Base interactions energy: -37.698
where: short stacking energy: -24.096
Base-Backbone interact. energy: -0.167
local terms energy: -40.819864
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -6.857
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -0.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -64.081985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.081985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.081985 (E_RNA)
where:
Base-Base interactions energy: -20.308
where: short stacking energy: -20.308
Base-Backbone interact. energy: -0.419
local terms energy: -43.355201
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -10.381
flat angles P-C4'-P energy: -5.381
tors. eta vs tors. theta energy: -3.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -67.466282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.466282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.466282 (E_RNA)
where:
Base-Base interactions energy: -24.807
where: short stacking energy: -24.807
Base-Backbone interact. energy: -0.146
local terms energy: -42.513236
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -8.303
flat angles C4'-P-C4' energy: -9.733
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -3.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -58.936633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.936633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.936633 (E_RNA)
where:
Base-Base interactions energy: -25.982
where: short stacking energy: -14.193
Base-Backbone interact. energy: -0.169
local terms energy: -32.785256
where:
bonds (distance) C4'-P energy: -6.377
bonds (distance) P-C4' energy: -9.454
flat angles C4'-P-C4' energy: -12.204
flat angles P-C4'-P energy: -5.496
tors. eta vs tors. theta energy: 0.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -145.379471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.379471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.379471 (E_RNA)
where:
Base-Base interactions energy: -88.934
where: short stacking energy: -55.774
Base-Backbone interact. energy: 0.605
local terms energy: -57.050117
where:
bonds (distance) C4'-P energy: -10.093
bonds (distance) P-C4' energy: -9.134
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -14.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -130.746326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.746326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.746326 (E_RNA)
where:
Base-Base interactions energy: -73.849
where: short stacking energy: -40.385
Base-Backbone interact. energy: -0.139
local terms energy: -56.758095
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -10.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -129.717975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.717975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.717975 (E_RNA)
where:
Base-Base interactions energy: -75.223
where: short stacking energy: -42.797
Base-Backbone interact. energy: -0.004
local terms energy: -54.490657
where:
bonds (distance) C4'-P energy: -10.177
bonds (distance) P-C4' energy: -10.888
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -7.149
tors. eta vs tors. theta energy: -13.750
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: 3
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -86.332209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.332209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.332209 (E_RNA)
where:
Base-Base interactions energy: -38.192
where: short stacking energy: -38.192
Base-Backbone interact. energy: -0.002
local terms energy: -48.138178
where:
bonds (distance) C4'-P energy: -9.704
bonds (distance) P-C4' energy: -8.094
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -6.482
tors. eta vs tors. theta energy: -11.428
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: 9
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -90.114845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.114845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.114845 (E_RNA)
where:
Base-Base interactions energy: -41.228
where: short stacking energy: -41.228
Base-Backbone interact. energy: -0.019
local terms energy: -48.867375
where:
bonds (distance) C4'-P energy: -8.467
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -4.183
tors. eta vs tors. theta energy: -11.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -77.457555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.457555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.457555 (E_RNA)
where:
Base-Base interactions energy: -33.870
where: short stacking energy: -28.183
Base-Backbone interact. energy: 1.097
local terms energy: -44.685221
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -8.306
flat angles P-C4'-P energy: -9.506
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: 7, replica: 5
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -71.325576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.325576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.325576 (E_RNA)
where:
Base-Base interactions energy: -23.079
where: short stacking energy: -16.272
Base-Backbone interact. energy: -0.047
local terms energy: -48.199911
where:
bonds (distance) C4'-P energy: -12.714
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -11.273
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -2.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -68.078875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.078875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.078875 (E_RNA)
where:
Base-Base interactions energy: -25.583
where: short stacking energy: -24.994
Base-Backbone interact. energy: -0.147
local terms energy: -42.348687
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -5.143
tors. eta vs tors. theta energy: -1.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -72.602679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.602679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.602679 (E_RNA)
where:
Base-Base interactions energy: -33.465
where: short stacking energy: -24.744
Base-Backbone interact. energy: -0.425
local terms energy: -38.712762
where:
bonds (distance) C4'-P energy: -9.021
bonds (distance) P-C4' energy: -10.765
flat angles C4'-P-C4' energy: -10.420
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -1.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -70.878944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.878944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.878944 (E_RNA)
where:
Base-Base interactions energy: -25.203
where: short stacking energy: -25.203
Base-Backbone interact. energy: -0.043
local terms energy: -45.633389
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -7.177
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: -6.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -146.777566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.777566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.777566 (E_RNA)
where:
Base-Base interactions energy: -82.114
where: short stacking energy: -53.966
Base-Backbone interact. energy: -0.031
local terms energy: -64.632189
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -15.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -125.943021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.943021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.943021 (E_RNA)
where:
Base-Base interactions energy: -70.812
where: short stacking energy: -41.769
Base-Backbone interact. energy: -0.001
local terms energy: -55.129571
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -6.403
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: 3, replica: 10
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -140.473948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.473948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.473948 (E_RNA)
where:
Base-Base interactions energy: -79.431
where: short stacking energy: -48.226
Base-Backbone interact. energy: -0.058
local terms energy: -60.984669
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -7.941
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: 4, replica: 9
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -87.365541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.365541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.365541 (E_RNA)
where:
Base-Base interactions energy: -41.742
where: short stacking energy: -41.038
Base-Backbone interact. energy: -0.148
local terms energy: -45.475753
where:
bonds (distance) C4'-P energy: -8.342
bonds (distance) P-C4' energy: -11.593
flat angles C4'-P-C4' energy: -12.185
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -4.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -77.347154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.347154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.347154 (E_RNA)
where:
Base-Base interactions energy: -27.382
where: short stacking energy: -27.382
Base-Backbone interact. energy: -0.389
local terms energy: -49.576637
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -10.720
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -3.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -74.324422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.324422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.324422 (E_RNA)
where:
Base-Base interactions energy: -30.151
where: short stacking energy: -30.151
Base-Backbone interact. energy: -0.110
local terms energy: -44.063905
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -6.114
flat angles C4'-P-C4' energy: -11.181
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -7.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -100.034553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.034553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.034553 (E_RNA)
where:
Base-Base interactions energy: -60.699
where: short stacking energy: -29.771
Base-Backbone interact. energy: -0.532
local terms energy: -38.802746
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -6.956
flat angles C4'-P-C4' energy: -10.557
flat angles P-C4'-P energy: -1.814
tors. eta vs tors. theta energy: -6.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -59.922418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.922418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.922418 (E_RNA)
where:
Base-Base interactions energy: -23.194
where: short stacking energy: -23.194
Base-Backbone interact. energy: -0.034
local terms energy: -36.694754
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -11.053
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -4.107
tors. eta vs tors. theta energy: 0.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -59.118986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.118986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.118986 (E_RNA)
where:
Base-Base interactions energy: -24.844
where: short stacking energy: -24.844
Base-Backbone interact. energy: -0.001
local terms energy: -34.273745
where:
bonds (distance) C4'-P energy: -10.267
bonds (distance) P-C4' energy: -8.275
flat angles C4'-P-C4' energy: -7.304
flat angles P-C4'-P energy: -5.970
tors. eta vs tors. theta energy: -2.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -71.191391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.191391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.191391 (E_RNA)
where:
Base-Base interactions energy: -24.245
where: short stacking energy: -24.245
Base-Backbone interact. energy: -0.054
local terms energy: -46.892248
where:
bonds (distance) C4'-P energy: -10.570
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -8.574
flat angles P-C4'-P energy: -6.234
tors. eta vs tors. theta energy: -7.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -134.021001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.021001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.021001 (E_RNA)
where:
Base-Base interactions energy: -79.278
where: short stacking energy: -44.559
Base-Backbone interact. energy: -0.030
local terms energy: -54.712164
where:
bonds (distance) C4'-P energy: -10.628
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -11.578
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -10.076
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: 280
Temperature: 0.950000
Total energy: -140.646170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.646170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.646170 (E_RNA)
where:
Base-Base interactions energy: -80.693
where: short stacking energy: -47.348
Base-Backbone interact. energy: -0.107
local terms energy: -59.846272
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -6.682
tors. eta vs tors. theta energy: -15.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -118.367588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.367588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.367588 (E_RNA)
where:
Base-Base interactions energy: -60.794
where: short stacking energy: -32.246
Base-Backbone interact. energy: -0.044
local terms energy: -57.529814
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -9.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -93.795902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.795902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.795902 (E_RNA)
where:
Base-Base interactions energy: -45.108
where: short stacking energy: -45.108
Base-Backbone interact. energy: -0.001
local terms energy: -48.686723
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -9.090
flat angles C4'-P-C4' energy: -9.154
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: -10.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -76.914902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.914902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.914902 (E_RNA)
where:
Base-Base interactions energy: -34.413
where: short stacking energy: -34.413
Base-Backbone interact. energy: -0.010
local terms energy: -42.491512
where:
bonds (distance) C4'-P energy: -8.492
bonds (distance) P-C4' energy: -11.943
flat angles C4'-P-C4' energy: -10.489
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -2.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -68.380368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.380368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.380368 (E_RNA)
where:
Base-Base interactions energy: -26.505
where: short stacking energy: -16.620
Base-Backbone interact. energy: -0.058
local terms energy: -41.817359
where:
bonds (distance) C4'-P energy: -10.457
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: 0.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -100.618560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.618560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.618560 (E_RNA)
where:
Base-Base interactions energy: -53.717
where: short stacking energy: -29.615
Base-Backbone interact. energy: -0.522
local terms energy: -46.379499
where:
bonds (distance) C4'-P energy: -10.474
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -8.422
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -4.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -59.467490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.467490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.467490 (E_RNA)
where:
Base-Base interactions energy: -22.766
where: short stacking energy: -16.016
Base-Backbone interact. energy: -0.304
local terms energy: -36.397273
where:
bonds (distance) C4'-P energy: -11.513
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -9.513
flat angles P-C4'-P energy: -4.639
tors. eta vs tors. theta energy: 2.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -64.638858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.638858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.638858 (E_RNA)
where:
Base-Base interactions energy: -21.645
where: short stacking energy: -21.645
Base-Backbone interact. energy: -0.094
local terms energy: -42.900288
where:
bonds (distance) C4'-P energy: -9.472
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -11.314
flat angles P-C4'-P energy: -4.830
tors. eta vs tors. theta energy: -3.603
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: 10, replica: 1
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -69.927024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.927024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.927024 (E_RNA)
where:
Base-Base interactions energy: -33.114
where: short stacking energy: -30.829
Base-Backbone interact. energy: -0.000
local terms energy: -36.812974
where:
bonds (distance) C4'-P energy: -5.130
bonds (distance) P-C4' energy: -12.298
flat angles C4'-P-C4' energy: -5.407
flat angles P-C4'-P energy: -3.841
tors. eta vs tors. theta energy: -10.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -135.052860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.052860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.052860 (E_RNA)
where:
Base-Base interactions energy: -76.317
where: short stacking energy: -51.880
Base-Backbone interact. energy: -0.027
local terms energy: -58.708990
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -11.416
flat angles P-C4'-P energy: -6.219
tors. eta vs tors. theta energy: -14.163
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: 2, replica: 10
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -125.935233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.935233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.935233 (E_RNA)
where:
Base-Base interactions energy: -80.533
where: short stacking energy: -41.051
Base-Backbone interact. energy: -0.030
local terms energy: -45.372234
where:
bonds (distance) C4'-P energy: -8.413
bonds (distance) P-C4' energy: -9.243
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -3.833
tors. eta vs tors. theta energy: -10.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -131.019244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.019244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.019244 (E_RNA)
where:
Base-Base interactions energy: -79.091
where: short stacking energy: -42.346
Base-Backbone interact. energy: -0.005
local terms energy: -51.923604
where:
bonds (distance) C4'-P energy: -9.312
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -10.986
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -10.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -105.123158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.123158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.123158 (E_RNA)
where:
Base-Base interactions energy: -54.422
where: short stacking energy: -43.946
Base-Backbone interact. energy: -0.208
local terms energy: -50.493460
where:
bonds (distance) C4'-P energy: -10.284
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -5.769
tors. eta vs tors. theta energy: -10.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -95.205029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.205029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.205029 (E_RNA)
where:
Base-Base interactions energy: -46.092
where: short stacking energy: -46.092
Base-Backbone interact. energy: -0.006
local terms energy: -49.107157
where:
bonds (distance) C4'-P energy: -9.720
bonds (distance) P-C4' energy: -11.116
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -6.170
tors. eta vs tors. theta energy: -10.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -109.834755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.834755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.834755 (E_RNA)
where:
Base-Base interactions energy: -62.106
where: short stacking energy: -36.680
Base-Backbone interact. energy: -0.092
local terms energy: -47.636941
where:
bonds (distance) C4'-P energy: -9.737
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -8.442
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -8.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -71.695477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.695477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.695477 (E_RNA)
where:
Base-Base interactions energy: -31.301
where: short stacking energy: -22.323
Base-Backbone interact. energy: -0.168
local terms energy: -40.225958
where:
bonds (distance) C4'-P energy: -8.130
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -4.185
tors. eta vs tors. theta energy: -2.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -73.094300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.094300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.094300 (E_RNA)
where:
Base-Base interactions energy: -26.589
where: short stacking energy: -26.589
Base-Backbone interact. energy: -0.001
local terms energy: -46.505062
where:
bonds (distance) C4'-P energy: -11.099
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -9.114
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: 8
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -63.886129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.886129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.886129 (E_RNA)
where:
Base-Base interactions energy: -25.671
where: short stacking energy: -25.671
Base-Backbone interact. energy: -0.032
local terms energy: -38.182606
where:
bonds (distance) C4'-P energy: -11.401
bonds (distance) P-C4' energy: -7.485
flat angles C4'-P-C4' energy: -10.299
flat angles P-C4'-P energy: -4.037
tors. eta vs tors. theta energy: -4.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -60.470646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.470646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.470646 (E_RNA)
where:
Base-Base interactions energy: -27.334
where: short stacking energy: -27.334
Base-Backbone interact. energy: 0.654
local terms energy: -33.790769
where:
bonds (distance) C4'-P energy: -8.656
bonds (distance) P-C4' energy: -6.810
flat angles C4'-P-C4' energy: -8.071
flat angles P-C4'-P energy: -6.941
tors. eta vs tors. theta energy: -3.312
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: 10
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -131.061534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.061534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.061534 (E_RNA)
where:
Base-Base interactions energy: -80.644
where: short stacking energy: -39.445
Base-Backbone interact. energy: -0.084
local terms energy: -50.333931
where:
bonds (distance) C4'-P energy: -10.893
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -6.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -136.809011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.809011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.809011 (E_RNA)
where:
Base-Base interactions energy: -78.537
where: short stacking energy: -47.894
Base-Backbone interact. energy: -0.040
local terms energy: -58.231532
where:
bonds (distance) C4'-P energy: -8.477
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -12.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -138.288295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.288295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.288295 (E_RNA)
where:
Base-Base interactions energy: -86.534
where: short stacking energy: -54.380
Base-Backbone interact. energy: 2.679
local terms energy: -54.433585
where:
bonds (distance) C4'-P energy: -9.083
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -10.450
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: 282
Temperature: 1.050000
Total energy: -97.820972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.820972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.820972 (E_RNA)
where:
Base-Base interactions energy: -51.389
where: short stacking energy: -34.116
Base-Backbone interact. energy: -0.036
local terms energy: -46.395837
where:
bonds (distance) C4'-P energy: -10.405
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -4.639
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -10.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -107.210544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.210544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.210544 (E_RNA)
where:
Base-Base interactions energy: -60.495
where: short stacking energy: -34.477
Base-Backbone interact. energy: -0.041
local terms energy: -46.674552
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -6.527
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: -7.959
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: 282
Temperature: 1.150000
Total energy: -82.471053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.471053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.471053 (E_RNA)
where:
Base-Base interactions energy: -36.341
where: short stacking energy: -35.507
Base-Backbone interact. energy: 0.217
local terms energy: -46.347143
where:
bonds (distance) C4'-P energy: -8.053
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -4.997
tors. eta vs tors. theta energy: -9.710
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: 7
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -79.096293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.096293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.096293 (E_RNA)
where:
Base-Base interactions energy: -28.260
where: short stacking energy: -28.260
Base-Backbone interact. energy: 0.479
local terms energy: -51.316049
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -10.599
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -4.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -77.266980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.266980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.266980 (E_RNA)
where:
Base-Base interactions energy: -34.324
where: short stacking energy: -34.324
Base-Backbone interact. energy: -0.707
local terms energy: -42.235883
where:
bonds (distance) C4'-P energy: -10.254
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -10.734
flat angles P-C4'-P energy: -1.974
tors. eta vs tors. theta energy: -5.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -70.471278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.471278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.471278 (E_RNA)
where:
Base-Base interactions energy: -22.600
where: short stacking energy: -19.090
Base-Backbone interact. energy: -0.039
local terms energy: -47.831896
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -10.995
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -5.538
tors. eta vs tors. theta energy: -5.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -62.616151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.616151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.616151 (E_RNA)
where:
Base-Base interactions energy: -28.613
where: short stacking energy: -19.478
Base-Backbone interact. energy: -0.006
local terms energy: -33.997338
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -8.961
flat angles C4'-P-C4' energy: -1.667
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -4.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -120.911968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.911968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.911968 (E_RNA)
where:
Base-Base interactions energy: -67.688
where: short stacking energy: -35.619
Base-Backbone interact. energy: -0.045
local terms energy: -53.178995
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -6.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -121.745889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.745889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.745889 (E_RNA)
where:
Base-Base interactions energy: -67.574
where: short stacking energy: -39.934
Base-Backbone interact. energy: -0.121
local terms energy: -54.050746
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -7.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -133.653137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.653137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.653137 (E_RNA)
where:
Base-Base interactions energy: -75.306
where: short stacking energy: -49.666
Base-Backbone interact. energy: -0.009
local terms energy: -58.337423
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -6.108
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: 2
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -92.451178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.451178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.451178 (E_RNA)
where:
Base-Base interactions energy: -47.230
where: short stacking energy: -40.451
Base-Backbone interact. energy: -0.182
local terms energy: -45.038988
where:
bonds (distance) C4'-P energy: -13.397
bonds (distance) P-C4' energy: -10.965
flat angles C4'-P-C4' energy: -9.108
flat angles P-C4'-P energy: -5.515
tors. eta vs tors. theta energy: -6.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -93.960083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.960083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.960083 (E_RNA)
where:
Base-Base interactions energy: -43.390
where: short stacking energy: -40.279
Base-Backbone interact. energy: -0.031
local terms energy: -50.538770
where:
bonds (distance) C4'-P energy: -10.557
bonds (distance) P-C4' energy: -14.478
flat angles C4'-P-C4' energy: -10.483
flat angles P-C4'-P energy: -4.733
tors. eta vs tors. theta energy: -10.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -91.139086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.139086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.139086 (E_RNA)
where:
Base-Base interactions energy: -39.498
where: short stacking energy: -39.498
Base-Backbone interact. energy: -0.001
local terms energy: -51.640380
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -10.823
flat angles P-C4'-P energy: -5.996
tors. eta vs tors. theta energy: -10.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -67.752370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.752370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.752370 (E_RNA)
where:
Base-Base interactions energy: -31.970
where: short stacking energy: -24.037
Base-Backbone interact. energy: -0.102
local terms energy: -35.680460
where:
bonds (distance) C4'-P energy: -6.176
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -4.445
tors. eta vs tors. theta energy: -0.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -65.203772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.203772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.203772 (E_RNA)
where:
Base-Base interactions energy: -18.422
where: short stacking energy: -18.422
Base-Backbone interact. energy: -0.615
local terms energy: -46.166685
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -10.634
flat angles P-C4'-P energy: -5.332
tors. eta vs tors. theta energy: -2.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -66.245270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.245270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.245270 (E_RNA)
where:
Base-Base interactions energy: -26.115
where: short stacking energy: -26.115
Base-Backbone interact. energy: -0.090
local terms energy: -40.040621
where:
bonds (distance) C4'-P energy: -6.305
bonds (distance) P-C4' energy: -9.786
flat angles C4'-P-C4' energy: -9.306
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -4.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -63.870832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.870832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.870832 (E_RNA)
where:
Base-Base interactions energy: -30.554
where: short stacking energy: -28.770
Base-Backbone interact. energy: 2.498
local terms energy: -35.814689
where:
bonds (distance) C4'-P energy: -9.448
bonds (distance) P-C4' energy: -4.488
flat angles C4'-P-C4' energy: -7.855
flat angles P-C4'-P energy: -7.255
tors. eta vs tors. theta energy: -6.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -131.793982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.793982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.793982 (E_RNA)
where:
Base-Base interactions energy: -79.348
where: short stacking energy: -49.283
Base-Backbone interact. energy: -0.086
local terms energy: -52.360748
where:
bonds (distance) C4'-P energy: -12.172
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -4.840
tors. eta vs tors. theta energy: -10.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -131.804449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.804449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.804449 (E_RNA)
where:
Base-Base interactions energy: -73.794
where: short stacking energy: -46.514
Base-Backbone interact. energy: -0.012
local terms energy: -57.998680
where:
bonds (distance) C4'-P energy: -13.505
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -7.692
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: 3, replica: 6
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -132.433431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.433431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.433431 (E_RNA)
where:
Base-Base interactions energy: -75.938
where: short stacking energy: -43.866
Base-Backbone interact. energy: -0.408
local terms energy: -56.087766
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -11.633
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -6.691
tors. eta vs tors. theta energy: -13.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -98.119091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.119091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.119091 (E_RNA)
where:
Base-Base interactions energy: -47.455
where: short stacking energy: -32.595
Base-Backbone interact. energy: -0.141
local terms energy: -50.522660
where:
bonds (distance) C4'-P energy: -9.534
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -5.431
tors. eta vs tors. theta energy: -9.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -88.261510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.261510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.261510 (E_RNA)
where:
Base-Base interactions energy: -40.685
where: short stacking energy: -36.692
Base-Backbone interact. energy: -0.096
local terms energy: -47.480499
where:
bonds (distance) C4'-P energy: -9.171
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -4.503
tors. eta vs tors. theta energy: -9.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -87.599523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.599523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.599523 (E_RNA)
where:
Base-Base interactions energy: -49.998
where: short stacking energy: -42.144
Base-Backbone interact. energy: 0.989
local terms energy: -38.590213
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -9.498
flat angles P-C4'-P energy: -0.714
tors. eta vs tors. theta energy: -6.425
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: 3
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -75.269721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.269721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.269721 (E_RNA)
where:
Base-Base interactions energy: -28.057
where: short stacking energy: -23.089
Base-Backbone interact. energy: -0.133
local terms energy: -47.079477
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -10.365
flat angles C4'-P-C4' energy: -9.433
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -6.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -66.143833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.143833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.143833 (E_RNA)
where:
Base-Base interactions energy: -23.758
where: short stacking energy: -23.758
Base-Backbone interact. energy: -0.175
local terms energy: -42.211071
where:
bonds (distance) C4'-P energy: -6.512
bonds (distance) P-C4' energy: -11.101
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -4.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -75.013800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.013800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.013800 (E_RNA)
where:
Base-Base interactions energy: -29.130
where: short stacking energy: -28.938
Base-Backbone interact. energy: -0.243
local terms energy: -45.640834
where:
bonds (distance) C4'-P energy: -8.707
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -9.250
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: 1
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -59.498459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.498459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.498459 (E_RNA)
where:
Base-Base interactions energy: -23.507
where: short stacking energy: -23.507
Base-Backbone interact. energy: -0.018
local terms energy: -35.973948
where:
bonds (distance) C4'-P energy: -7.436
bonds (distance) P-C4' energy: -10.368
flat angles C4'-P-C4' energy: -8.948
flat angles P-C4'-P energy: -5.384
tors. eta vs tors. theta energy: -3.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -140.866352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.866352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.866352 (E_RNA)
where:
Base-Base interactions energy: -83.101
where: short stacking energy: -50.878
Base-Backbone interact. energy: -0.006
local terms energy: -57.759389
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -10.507
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -9.560
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: 2, replica: 10
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -134.037229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.037229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.037229 (E_RNA)
where:
Base-Base interactions energy: -72.872
where: short stacking energy: -46.183
Base-Backbone interact. energy: -0.005
local terms energy: -61.159994
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -12.075
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: 6
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -124.040029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.040029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.040029 (E_RNA)
where:
Base-Base interactions energy: -78.407
where: short stacking energy: -43.894
Base-Backbone interact. energy: -0.084
local terms energy: -45.549458
where:
bonds (distance) C4'-P energy: -10.900
bonds (distance) P-C4' energy: -7.709
flat angles C4'-P-C4' energy: -9.207
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: -10.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -98.765332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.765332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.765332 (E_RNA)
where:
Base-Base interactions energy: -53.915
where: short stacking energy: -38.030
Base-Backbone interact. energy: -0.464
local terms energy: -44.386079
where:
bonds (distance) C4'-P energy: -5.705
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -9.558
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -9.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -78.090760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.090760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.090760 (E_RNA)
where:
Base-Base interactions energy: -29.701
where: short stacking energy: -29.701
Base-Backbone interact. energy: -0.003
local terms energy: -48.387013
where:
bonds (distance) C4'-P energy: -10.524
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -7.596
flat angles P-C4'-P energy: -7.144
tors. eta vs tors. theta energy: -8.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -79.062553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.062553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.062553 (E_RNA)
where:
Base-Base interactions energy: -30.641
where: short stacking energy: -30.641
Base-Backbone interact. energy: -0.806
local terms energy: -47.615347
where:
bonds (distance) C4'-P energy: -10.570
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -6.319
tors. eta vs tors. theta energy: -4.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -86.634259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.634259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.634259 (E_RNA)
where:
Base-Base interactions energy: -39.863
where: short stacking energy: -29.281
Base-Backbone interact. energy: -0.059
local terms energy: -46.712203
where:
bonds (distance) C4'-P energy: -11.786
bonds (distance) P-C4' energy: -12.102
flat angles C4'-P-C4' energy: -8.062
flat angles P-C4'-P energy: -5.006
tors. eta vs tors. theta energy: -9.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -70.053461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.053461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.053461 (E_RNA)
where:
Base-Base interactions energy: -22.389
where: short stacking energy: -22.389
Base-Backbone interact. energy: -0.083
local terms energy: -47.581298
where:
bonds (distance) C4'-P energy: -10.445
bonds (distance) P-C4' energy: -9.617
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -4.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -76.082464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.082464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.082464 (E_RNA)
where:
Base-Base interactions energy: -32.533
where: short stacking energy: -32.430
Base-Backbone interact. energy: 1.152
local terms energy: -44.702041
where:
bonds (distance) C4'-P energy: -11.765
bonds (distance) P-C4' energy: -11.675
flat angles C4'-P-C4' energy: -8.646
flat angles P-C4'-P energy: -3.208
tors. eta vs tors. theta energy: -9.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -70.433267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.433267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.433267 (E_RNA)
where:
Base-Base interactions energy: -24.378
where: short stacking energy: -24.378
Base-Backbone interact. energy: 0.026
local terms energy: -46.081090
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -8.088
flat angles C4'-P-C4' energy: -9.959
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -5.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -152.446454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.446454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.446454 (E_RNA)
where:
Base-Base interactions energy: -90.820
where: short stacking energy: -58.457
Base-Backbone interact. energy: -0.001
local terms energy: -61.625803
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -12.447
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -17.177
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: 2, replica: 4
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -132.297965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.297965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.297965 (E_RNA)
where:
Base-Base interactions energy: -80.116
where: short stacking energy: -49.376
Base-Backbone interact. energy: -0.059
local terms energy: -52.122864
where:
bonds (distance) C4'-P energy: -9.323
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -12.637
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: 6
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -127.223604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.223604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.223604 (E_RNA)
where:
Base-Base interactions energy: -75.106
where: short stacking energy: -36.802
Base-Backbone interact. energy: -0.086
local terms energy: -52.031074
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -7.115
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: 2
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -102.189088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.189088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.189088 (E_RNA)
where:
Base-Base interactions energy: -62.225
where: short stacking energy: -41.116
Base-Backbone interact. energy: -0.142
local terms energy: -39.821965
where:
bonds (distance) C4'-P energy: -7.739
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -9.443
flat angles P-C4'-P energy: -2.856
tors. eta vs tors. theta energy: -8.024
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: 7
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -87.131299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.131299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.131299 (E_RNA)
where:
Base-Base interactions energy: -33.705
where: short stacking energy: -33.705
Base-Backbone interact. energy: -0.402
local terms energy: -53.024054
where:
bonds (distance) C4'-P energy: -11.133
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -6.322
tors. eta vs tors. theta energy: -10.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -77.271033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.271033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.271033 (E_RNA)
where:
Base-Base interactions energy: -31.338
where: short stacking energy: -31.338
Base-Backbone interact. energy: -0.250
local terms energy: -45.682318
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -8.292
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -3.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -73.944807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.944807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.944807 (E_RNA)
where:
Base-Base interactions energy: -27.413
where: short stacking energy: -27.071
Base-Backbone interact. energy: -0.065
local terms energy: -46.466350
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -10.722
flat angles P-C4'-P energy: -6.815
tors. eta vs tors. theta energy: -4.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -60.033886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.033886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.033886 (E_RNA)
where:
Base-Base interactions energy: -22.013
where: short stacking energy: -18.954
Base-Backbone interact. energy: -0.103
local terms energy: -37.917471
where:
bonds (distance) C4'-P energy: -7.991
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -5.147
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -3.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -65.900729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.900729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.900729 (E_RNA)
where:
Base-Base interactions energy: -23.872
where: short stacking energy: -23.451
Base-Backbone interact. energy: -0.075
local terms energy: -41.954426
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -9.402
flat angles P-C4'-P energy: -3.601
tors. eta vs tors. theta energy: -2.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -64.103546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.103546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.103546 (E_RNA)
where:
Base-Base interactions energy: -30.475
where: short stacking energy: -13.590
Base-Backbone interact. energy: 0.787
local terms energy: -34.415621
where:
bonds (distance) C4'-P energy: -6.563
bonds (distance) P-C4' energy: -8.996
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -5.516
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: 10
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -148.310632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.310632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.310632 (E_RNA)
where:
Base-Base interactions energy: -93.332
where: short stacking energy: -54.647
Base-Backbone interact. energy: -0.185
local terms energy: -54.793847
where:
bonds (distance) C4'-P energy: -11.356
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -10.280
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -12.753
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: 6
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -128.374957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.374957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.374957 (E_RNA)
where:
Base-Base interactions energy: -73.702
where: short stacking energy: -45.373
Base-Backbone interact. energy: -0.001
local terms energy: -54.672278
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -10.154
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -11.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -131.632760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.632760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.632760 (E_RNA)
where:
Base-Base interactions energy: -78.115
where: short stacking energy: -45.111
Base-Backbone interact. energy: -0.175
local terms energy: -53.342236
where:
bonds (distance) C4'-P energy: -11.741
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -4.554
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -15.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -99.888306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.888306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.888306 (E_RNA)
where:
Base-Base interactions energy: -50.189
where: short stacking energy: -43.492
Base-Backbone interact. energy: -0.012
local terms energy: -49.687455
where:
bonds (distance) C4'-P energy: -11.087
bonds (distance) P-C4' energy: -11.190
flat angles C4'-P-C4' energy: -12.084
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: -9.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -75.158473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.158473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.158473 (E_RNA)
where:
Base-Base interactions energy: -29.379
where: short stacking energy: -29.379
Base-Backbone interact. energy: -0.006
local terms energy: -45.773599
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -9.279
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -7.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -85.097270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.097270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.097270 (E_RNA)
where:
Base-Base interactions energy: -37.108
where: short stacking energy: -36.068
Base-Backbone interact. energy: -0.165
local terms energy: -47.824318
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -11.848
flat angles C4'-P-C4' energy: -9.670
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -6.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -73.022256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.022256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.022256 (E_RNA)
where:
Base-Base interactions energy: -32.652
where: short stacking energy: -32.652
Base-Backbone interact. energy: -0.000
local terms energy: -40.370119
where:
bonds (distance) C4'-P energy: -9.195
bonds (distance) P-C4' energy: -9.321
flat angles C4'-P-C4' energy: -9.029
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: -5.979
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: 1
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -70.303322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.303322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.303322 (E_RNA)
where:
Base-Base interactions energy: -26.077
where: short stacking energy: -24.708
Base-Backbone interact. energy: -0.022
local terms energy: -44.204411
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -8.983
flat angles C4'-P-C4' energy: -9.995
flat angles P-C4'-P energy: -6.840
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: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -68.991947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.991947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.991947 (E_RNA)
where:
Base-Base interactions energy: -23.025
where: short stacking energy: -23.025
Base-Backbone interact. energy: -0.036
local terms energy: -45.930775
where:
bonds (distance) C4'-P energy: -11.852
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -10.828
flat angles P-C4'-P energy: -4.133
tors. eta vs tors. theta energy: -7.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -71.638666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.638666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.638666 (E_RNA)
where:
Base-Base interactions energy: -30.802
where: short stacking energy: -17.948
Base-Backbone interact. energy: -0.446
local terms energy: -40.390635
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -10.007
flat angles P-C4'-P energy: -4.206
tors. eta vs tors. theta energy: -0.237
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: 10
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -148.183852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.183852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.183852 (E_RNA)
where:
Base-Base interactions energy: -88.141
where: short stacking energy: -53.528
Base-Backbone interact. energy: -0.077
local terms energy: -59.966246
where:
bonds (distance) C4'-P energy: -10.921
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -16.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -132.673384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.673384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.673384 (E_RNA)
where:
Base-Base interactions energy: -74.536
where: short stacking energy: -50.411
Base-Backbone interact. energy: -0.046
local terms energy: -58.091676
where:
bonds (distance) C4'-P energy: -10.483
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -12.924
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: 288
Temperature: 1.000000
Total energy: -87.999819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.999819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.999819 (E_RNA)
where:
Base-Base interactions energy: -38.508
where: short stacking energy: -37.240
Base-Backbone interact. energy: -0.011
local terms energy: -49.481105
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -11.011
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: -5.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -123.942256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.942256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.942256 (E_RNA)
where:
Base-Base interactions energy: -66.183
where: short stacking energy: -38.892
Base-Backbone interact. energy: 0.543
local terms energy: -58.301743
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -11.242
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -12.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -82.364769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.364769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.364769 (E_RNA)
where:
Base-Base interactions energy: -36.623
where: short stacking energy: -27.740
Base-Backbone interact. energy: -0.215
local terms energy: -45.526263
where:
bonds (distance) C4'-P energy: -10.035
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -11.622
flat angles P-C4'-P energy: -4.336
tors. eta vs tors. theta energy: -7.201
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: 7
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -93.561562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.561562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.561562 (E_RNA)
where:
Base-Base interactions energy: -48.667
where: short stacking energy: -32.173
Base-Backbone interact. energy: -0.153
local terms energy: -44.741094
where:
bonds (distance) C4'-P energy: -7.899
bonds (distance) P-C4' energy: -9.917
flat angles C4'-P-C4' energy: -10.113
flat angles P-C4'-P energy: -6.631
tors. eta vs tors. theta energy: -10.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -69.702931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.702931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.702931 (E_RNA)
where:
Base-Base interactions energy: -29.294
where: short stacking energy: -29.294
Base-Backbone interact. energy: -0.037
local terms energy: -40.371933
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -10.992
flat angles C4'-P-C4' energy: -10.286
flat angles P-C4'-P energy: -3.693
tors. eta vs tors. theta energy: -3.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -69.593935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.593935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.593935 (E_RNA)
where:
Base-Base interactions energy: -30.762
where: short stacking energy: -29.388
Base-Backbone interact. energy: -0.012
local terms energy: -38.819602
where:
bonds (distance) C4'-P energy: -10.154
bonds (distance) P-C4' energy: -9.243
flat angles C4'-P-C4' energy: -6.482
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -5.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -67.002499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.002499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.002499 (E_RNA)
where:
Base-Base interactions energy: -29.184
where: short stacking energy: -29.184
Base-Backbone interact. energy: -0.059
local terms energy: -37.759260
where:
bonds (distance) C4'-P energy: -4.617
bonds (distance) P-C4' energy: -10.594
flat angles C4'-P-C4' energy: -10.518
flat angles P-C4'-P energy: -5.446
tors. eta vs tors. theta energy: -6.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -52.182102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.182102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.182102 (E_RNA)
where:
Base-Base interactions energy: -17.174
where: short stacking energy: -17.040
Base-Backbone interact. energy: -0.291
local terms energy: -34.717396
where:
bonds (distance) C4'-P energy: -9.489
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -8.671
flat angles P-C4'-P energy: -4.299
tors. eta vs tors. theta energy: -0.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -148.540837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.540837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.540837 (E_RNA)
where:
Base-Base interactions energy: -90.251
where: short stacking energy: -56.503
Base-Backbone interact. energy: -0.004
local terms energy: -58.286151
where:
bonds (distance) C4'-P energy: -11.720
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -9.153
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: 2, replica: 6
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -121.563363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.563363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.563363 (E_RNA)
where:
Base-Base interactions energy: -74.796
where: short stacking energy: -32.471
Base-Backbone interact. energy: 0.121
local terms energy: -46.888289
where:
bonds (distance) C4'-P energy: -11.165
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -9.287
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -5.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -78.086154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.086154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.086154 (E_RNA)
where:
Base-Base interactions energy: -36.884
where: short stacking energy: -36.884
Base-Backbone interact. energy: -0.190
local terms energy: -41.012842
where:
bonds (distance) C4'-P energy: -9.563
bonds (distance) P-C4' energy: -10.323
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -0.385
tors. eta vs tors. theta energy: -8.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -126.112562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.112562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.112562 (E_RNA)
where:
Base-Base interactions energy: -77.076
where: short stacking energy: -46.103
Base-Backbone interact. energy: -0.296
local terms energy: -48.741154
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -11.549
flat angles C4'-P-C4' energy: -9.975
flat angles P-C4'-P energy: -4.664
tors. eta vs tors. theta energy: -9.344
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: 5, replica: 8
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -76.102015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.102015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.102015 (E_RNA)
where:
Base-Base interactions energy: -29.285
where: short stacking energy: -29.285
Base-Backbone interact. energy: 1.227
local terms energy: -48.043697
where:
bonds (distance) C4'-P energy: -11.513
bonds (distance) P-C4' energy: -12.537
flat angles C4'-P-C4' energy: -10.185
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -5.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -72.036567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.036567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.036567 (E_RNA)
where:
Base-Base interactions energy: -28.217
where: short stacking energy: -26.685
Base-Backbone interact. energy: -0.042
local terms energy: -43.777528
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -9.892
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -2.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -82.195420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.195420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.195420 (E_RNA)
where:
Base-Base interactions energy: -36.416
where: short stacking energy: -24.002
Base-Backbone interact. energy: -0.290
local terms energy: -45.489081
where:
bonds (distance) C4'-P energy: -9.602
bonds (distance) P-C4' energy: -10.765
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -7.624
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: 8, replica: 5
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -69.494810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.494810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.494810 (E_RNA)
where:
Base-Base interactions energy: -29.865
where: short stacking energy: -29.865
Base-Backbone interact. energy: 0.731
local terms energy: -40.360880
where:
bonds (distance) C4'-P energy: -8.422
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -11.407
flat angles P-C4'-P energy: -4.216
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: 9, replica: 3
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -73.086448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.086448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.086448 (E_RNA)
where:
Base-Base interactions energy: -30.949
where: short stacking energy: -30.949
Base-Backbone interact. energy: 1.822
local terms energy: -43.958814
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -10.110
flat angles C4'-P-C4' energy: -11.093
flat angles P-C4'-P energy: -5.170
tors. eta vs tors. theta energy: -5.746
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: 9
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -58.052370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.052370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.052370 (E_RNA)
where:
Base-Base interactions energy: -24.651
where: short stacking energy: -24.751
Base-Backbone interact. energy: -0.131
local terms energy: -33.270369
where:
bonds (distance) C4'-P energy: -4.097
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -8.536
flat angles P-C4'-P energy: -4.671
tors. eta vs tors. theta energy: -4.498
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: 10
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -151.176586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.176586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.176586 (E_RNA)
where:
Base-Base interactions energy: -95.678
where: short stacking energy: -55.615
Base-Backbone interact. energy: -0.005
local terms energy: -55.493159
where:
bonds (distance) C4'-P energy: -7.782
bonds (distance) P-C4' energy: -10.466
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: -16.450
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: 6
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -117.131100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.131100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.131100 (E_RNA)
where:
Base-Base interactions energy: -66.122
where: short stacking energy: -39.615
Base-Backbone interact. energy: -0.072
local terms energy: -50.937397
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -5.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -118.981070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.981070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.981070 (E_RNA)
where:
Base-Base interactions energy: -70.401
where: short stacking energy: -38.710
Base-Backbone interact. energy: -0.060
local terms energy: -48.520414
where:
bonds (distance) C4'-P energy: -7.813
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -7.747
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: 2
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -95.144981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.144981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.144981 (E_RNA)
where:
Base-Base interactions energy: -41.081
where: short stacking energy: -41.081
Base-Backbone interact. energy: -0.011
local terms energy: -54.052754
where:
bonds (distance) C4'-P energy: -9.038
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -6.851
tors. eta vs tors. theta energy: -9.430
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: 5, replica: 8
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -85.970965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.970965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.970965 (E_RNA)
where:
Base-Base interactions energy: -34.497
where: short stacking energy: -34.497
Base-Backbone interact. energy: -0.074
local terms energy: -51.399942
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -9.659
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -6.933
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: 6, replica: 1
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -85.313633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.313633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.313633 (E_RNA)
where:
Base-Base interactions energy: -31.952
where: short stacking energy: -31.952
Base-Backbone interact. energy: 0.853
local terms energy: -54.214060
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -10.172
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -10.197
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: 7, replica: 7
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -78.134718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.134718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.134718 (E_RNA)
where:
Base-Base interactions energy: -33.203
where: short stacking energy: -24.514
Base-Backbone interact. energy: 0.981
local terms energy: -45.913540
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -9.488
flat angles C4'-P-C4' energy: -11.424
flat angles P-C4'-P energy: -4.371
tors. eta vs tors. theta energy: -8.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -72.210008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.210008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.210008 (E_RNA)
where:
Base-Base interactions energy: -29.809
where: short stacking energy: -18.727
Base-Backbone interact. energy: -0.104
local terms energy: -42.296957
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -11.286
flat angles C4'-P-C4' energy: -9.216
flat angles P-C4'-P energy: -4.685
tors. eta vs tors. theta energy: -3.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -68.742309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.742309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.742309 (E_RNA)
where:
Base-Base interactions energy: -25.985
where: short stacking energy: -25.985
Base-Backbone interact. energy: -0.026
local terms energy: -42.731805
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -7.358
flat angles P-C4'-P energy: -5.574
tors. eta vs tors. theta energy: -3.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -62.951954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.951954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.951954 (E_RNA)
where:
Base-Base interactions energy: -21.818
where: short stacking energy: -21.818
Base-Backbone interact. energy: -0.238
local terms energy: -40.895162
where:
bonds (distance) C4'-P energy: -11.107
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -7.869
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -1.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -134.080760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.080760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.080760 (E_RNA)
where:
Base-Base interactions energy: -75.778
where: short stacking energy: -43.623
Base-Backbone interact. energy: -0.017
local terms energy: -58.285850
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -8.823
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -11.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -127.545849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.545849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.545849 (E_RNA)
where:
Base-Base interactions energy: -73.737
where: short stacking energy: -46.264
Base-Backbone interact. energy: -0.136
local terms energy: -53.673586
where:
bonds (distance) C4'-P energy: -10.311
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -5.173
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: 3, replica: 6
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -127.855905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.855905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.855905 (E_RNA)
where:
Base-Base interactions energy: -73.296
where: short stacking energy: -44.171
Base-Backbone interact. energy: -0.009
local terms energy: -54.550606
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -10.018
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -10.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -94.605917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.605917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.605917 (E_RNA)
where:
Base-Base interactions energy: -41.430
where: short stacking energy: -41.403
Base-Backbone interact. energy: -0.019
local terms energy: -53.157140
where:
bonds (distance) C4'-P energy: -11.265
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -9.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -82.853031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.853031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.853031 (E_RNA)
where:
Base-Base interactions energy: -29.333
where: short stacking energy: -29.333
Base-Backbone interact. energy: -0.013
local terms energy: -53.506203
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -10.335
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -8.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -75.250200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.250200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.250200 (E_RNA)
where:
Base-Base interactions energy: -29.832
where: short stacking energy: -29.832
Base-Backbone interact. energy: -0.049
local terms energy: -45.368489
where:
bonds (distance) C4'-P energy: -10.528
bonds (distance) P-C4' energy: -11.794
flat angles C4'-P-C4' energy: -8.539
flat angles P-C4'-P energy: -6.677
tors. eta vs tors. theta energy: -7.831
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: 291
Temperature: 1.200000
Total energy: -73.428006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.428006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.428006 (E_RNA)
where:
Base-Base interactions energy: -27.850
where: short stacking energy: -27.176
Base-Backbone interact. energy: -0.008
local terms energy: -45.570321
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -8.555
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -4.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -68.733318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.733318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.733318 (E_RNA)
where:
Base-Base interactions energy: -26.036
where: short stacking energy: -26.036
Base-Backbone interact. energy: -0.025
local terms energy: -42.671471
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -11.698
flat angles C4'-P-C4' energy: -6.102
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -3.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -67.639490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.639490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.639490 (E_RNA)
where:
Base-Base interactions energy: -24.397
where: short stacking energy: -24.397
Base-Backbone interact. energy: -0.012
local terms energy: -43.229748
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -4.264
tors. eta vs tors. theta energy: -2.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -61.063446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.063446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.063446 (E_RNA)
where:
Base-Base interactions energy: -32.341
where: short stacking energy: -21.793
Base-Backbone interact. energy: -0.054
local terms energy: -28.668343
where:
bonds (distance) C4'-P energy: -8.296
bonds (distance) P-C4' energy: -4.345
flat angles C4'-P-C4' energy: -7.339
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -1.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -131.081276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.081276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.081276 (E_RNA)
where:
Base-Base interactions energy: -80.826
where: short stacking energy: -46.437
Base-Backbone interact. energy: -0.024
local terms energy: -50.231981
where:
bonds (distance) C4'-P energy: -7.820
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -10.422
flat angles P-C4'-P energy: -5.277
tors. eta vs tors. theta energy: -12.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -132.997810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.997810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.997810 (E_RNA)
where:
Base-Base interactions energy: -79.146
where: short stacking energy: -50.569
Base-Backbone interact. energy: -0.013
local terms energy: -53.838954
where:
bonds (distance) C4'-P energy: -7.754
bonds (distance) P-C4' energy: -12.096
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -13.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -135.544774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.544774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.544774 (E_RNA)
where:
Base-Base interactions energy: -73.501
where: short stacking energy: -46.992
Base-Backbone interact. energy: -0.109
local terms energy: -61.934031
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -12.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -83.191677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.191677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.191677 (E_RNA)
where:
Base-Base interactions energy: -35.312
where: short stacking energy: -35.312
Base-Backbone interact. energy: -0.007
local terms energy: -47.872452
where:
bonds (distance) C4'-P energy: -9.426
bonds (distance) P-C4' energy: -12.481
flat angles C4'-P-C4' energy: -9.537
flat angles P-C4'-P energy: -6.268
tors. eta vs tors. theta energy: -10.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -78.659070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.659070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.659070 (E_RNA)
where:
Base-Base interactions energy: -40.348
where: short stacking energy: -31.625
Base-Backbone interact. energy: -0.197
local terms energy: -38.114290
where:
bonds (distance) C4'-P energy: -8.228
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -9.699
flat angles P-C4'-P energy: -6.948
tors. eta vs tors. theta energy: -1.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -70.876269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.876269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.876269 (E_RNA)
where:
Base-Base interactions energy: -24.429
where: short stacking energy: -24.429
Base-Backbone interact. energy: -0.182
local terms energy: -46.265353
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -2.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -72.444455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.444455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.444455 (E_RNA)
where:
Base-Base interactions energy: -38.518
where: short stacking energy: -30.899
Base-Backbone interact. energy: -0.394
local terms energy: -33.532366
where:
bonds (distance) C4'-P energy: -6.616
bonds (distance) P-C4' energy: -8.615
flat angles C4'-P-C4' energy: -9.177
flat angles P-C4'-P energy: -5.364
tors. eta vs tors. theta energy: -3.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -68.681034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.681034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.681034 (E_RNA)
where:
Base-Base interactions energy: -35.912
where: short stacking energy: -34.271
Base-Backbone interact. energy: 1.555
local terms energy: -34.324109
where:
bonds (distance) C4'-P energy: -2.009
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -9.918
flat angles P-C4'-P energy: -2.274
tors. eta vs tors. theta energy: -7.404
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: 5
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -71.694370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.694370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.694370 (E_RNA)
where:
Base-Base interactions energy: -33.683
where: short stacking energy: -16.568
Base-Backbone interact. energy: -0.321
local terms energy: -37.690403
where:
bonds (distance) C4'-P energy: -8.827
bonds (distance) P-C4' energy: -7.741
flat angles C4'-P-C4' energy: -10.715
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -1.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -51.502666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.502666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.502666 (E_RNA)
where:
Base-Base interactions energy: -19.893
where: short stacking energy: -19.893
Base-Backbone interact. energy: 0.077
local terms energy: -31.687073
where:
bonds (distance) C4'-P energy: -8.822
bonds (distance) P-C4' energy: -11.010
flat angles C4'-P-C4' energy: -8.751
flat angles P-C4'-P energy: -5.873
tors. eta vs tors. theta energy: 2.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -140.833489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.833489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.833489 (E_RNA)
where:
Base-Base interactions energy: -85.490
where: short stacking energy: -54.901
Base-Backbone interact. energy: -0.001
local terms energy: -55.342008
where:
bonds (distance) C4'-P energy: -8.289
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -13.543
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: 6
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -124.261880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.261880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.261880 (E_RNA)
where:
Base-Base interactions energy: -77.212
where: short stacking energy: -40.700
Base-Backbone interact. energy: 0.359
local terms energy: -47.409659
where:
bonds (distance) C4'-P energy: -9.906
bonds (distance) P-C4' energy: -8.900
flat angles C4'-P-C4' energy: -11.378
flat angles P-C4'-P energy: -7.692
tors. eta vs tors. theta energy: -9.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -123.860352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.860352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.860352 (E_RNA)
where:
Base-Base interactions energy: -76.106
where: short stacking energy: -39.244
Base-Backbone interact. energy: 0.397
local terms energy: -48.150634
where:
bonds (distance) C4'-P energy: -5.561
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -9.643
flat angles P-C4'-P energy: -10.688
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: 4, replica: 7
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -102.979948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.979948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.979948 (E_RNA)
where:
Base-Base interactions energy: -58.786
where: short stacking energy: -29.757
Base-Backbone interact. energy: -0.070
local terms energy: -44.123861
where:
bonds (distance) C4'-P energy: -7.534
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -9.659
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -4.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -85.642827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.642827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.642827 (E_RNA)
where:
Base-Base interactions energy: -38.206
where: short stacking energy: -38.206
Base-Backbone interact. energy: -0.008
local terms energy: -47.428691
where:
bonds (distance) C4'-P energy: -10.822
bonds (distance) P-C4' energy: -11.860
flat angles C4'-P-C4' energy: -11.314
flat angles P-C4'-P energy: -5.371
tors. eta vs tors. theta energy: -8.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -76.796389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.796389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.796389 (E_RNA)
where:
Base-Base interactions energy: -34.561
where: short stacking energy: -34.561
Base-Backbone interact. energy: -0.223
local terms energy: -42.013200
where:
bonds (distance) C4'-P energy: -5.767
bonds (distance) P-C4' energy: -11.001
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -6.083
tors. eta vs tors. theta energy: -6.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -69.104563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.104563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.104563 (E_RNA)
where:
Base-Base interactions energy: -23.680
where: short stacking energy: -24.780
Base-Backbone interact. energy: -0.728
local terms energy: -44.696208
where:
bonds (distance) C4'-P energy: -8.190
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -8.256
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -4.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -80.067510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.067510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.067510 (E_RNA)
where:
Base-Base interactions energy: -45.474
where: short stacking energy: -19.970
Base-Backbone interact. energy: -0.191
local terms energy: -34.402773
where:
bonds (distance) C4'-P energy: -10.809
bonds (distance) P-C4' energy: -10.765
flat angles C4'-P-C4' energy: -5.157
flat angles P-C4'-P energy: -4.962
tors. eta vs tors. theta energy: -2.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -76.388628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.388628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.388628 (E_RNA)
where:
Base-Base interactions energy: -35.912
where: short stacking energy: -23.504
Base-Backbone interact. energy: -0.107
local terms energy: -40.369967
where:
bonds (distance) C4'-P energy: -7.767
bonds (distance) P-C4' energy: -10.540
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: -3.494
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: 3
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -61.834130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.834130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.834130 (E_RNA)
where:
Base-Base interactions energy: -26.757
where: short stacking energy: -26.757
Base-Backbone interact. energy: 0.954
local terms energy: -36.030391
where:
bonds (distance) C4'-P energy: -7.374
bonds (distance) P-C4' energy: -8.688
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -2.933
tors. eta vs tors. theta energy: -4.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -139.313196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.313196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.313196 (E_RNA)
where:
Base-Base interactions energy: -83.665
where: short stacking energy: -49.921
Base-Backbone interact. energy: -0.129
local terms energy: -55.519010
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -11.596
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -6.596
tors. eta vs tors. theta energy: -13.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -120.033385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.033385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.033385 (E_RNA)
where:
Base-Base interactions energy: -67.723
where: short stacking energy: -39.059
Base-Backbone interact. energy: -0.054
local terms energy: -52.256077
where:
bonds (distance) C4'-P energy: -11.042
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -9.150
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -10.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -136.008534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.008534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.008534 (E_RNA)
where:
Base-Base interactions energy: -80.064
where: short stacking energy: -49.290
Base-Backbone interact. energy: -0.007
local terms energy: -55.938332
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -9.661
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -14.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -94.929928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.929928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.929928 (E_RNA)
where:
Base-Base interactions energy: -45.675
where: short stacking energy: -21.240
Base-Backbone interact. energy: -0.100
local terms energy: -49.154154
where:
bonds (distance) C4'-P energy: -8.938
bonds (distance) P-C4' energy: -12.261
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -5.811
tors. eta vs tors. theta energy: -10.445
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: 8
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -87.434115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.434115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.434115 (E_RNA)
where:
Base-Base interactions energy: -39.095
where: short stacking energy: -39.095
Base-Backbone interact. energy: -0.036
local terms energy: -48.302742
where:
bonds (distance) C4'-P energy: -11.042
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -5.844
tors. eta vs tors. theta energy: -5.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -79.413159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.413159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.413159 (E_RNA)
where:
Base-Base interactions energy: -28.794
where: short stacking energy: -28.794
Base-Backbone interact. energy: 0.792
local terms energy: -51.411179
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -4.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -98.220569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.220569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.220569 (E_RNA)
where:
Base-Base interactions energy: -57.772
where: short stacking energy: -30.196
Base-Backbone interact. energy: -0.114
local terms energy: -40.334544
where:
bonds (distance) C4'-P energy: -9.844
bonds (distance) P-C4' energy: -6.684
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -1.957
tors. eta vs tors. theta energy: -7.971
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: 2
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -75.262639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.262639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.262639 (E_RNA)
where:
Base-Base interactions energy: -27.508
where: short stacking energy: -27.508
Base-Backbone interact. energy: -0.100
local terms energy: -47.655201
where:
bonds (distance) C4'-P energy: -12.167
bonds (distance) P-C4' energy: -11.473
flat angles C4'-P-C4' energy: -8.795
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -7.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -62.339996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.339996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.339996 (E_RNA)
where:
Base-Base interactions energy: -20.719
where: short stacking energy: -19.939
Base-Backbone interact. energy: 0.357
local terms energy: -41.977564
where:
bonds (distance) C4'-P energy: -11.596
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -9.543
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -1.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -64.692939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.692939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.692939 (E_RNA)
where:
Base-Base interactions energy: -21.140
where: short stacking energy: -21.140
Base-Backbone interact. energy: -0.002
local terms energy: -43.550797
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -10.878
flat angles P-C4'-P energy: -6.610
tors. eta vs tors. theta energy: -1.656
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: 295
Temperature: 0.900000
Total energy: -143.589848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.589848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.589848 (E_RNA)
where:
Base-Base interactions energy: -81.959
where: short stacking energy: -54.761
Base-Backbone interact. energy: -0.009
local terms energy: -61.622466
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -10.343
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -14.525
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: 10
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -139.079621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.079621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.079621 (E_RNA)
where:
Base-Base interactions energy: -77.239
where: short stacking energy: -51.179
Base-Backbone interact. energy: -0.013
local terms energy: -61.827523
where:
bonds (distance) C4'-P energy: -11.977
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -13.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -124.505715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.505715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.505715 (E_RNA)
where:
Base-Base interactions energy: -65.787
where: short stacking energy: -47.803
Base-Backbone interact. energy: -0.014
local terms energy: -58.703834
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -10.469
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -14.627
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: 8
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -93.134822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.134822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.134822 (E_RNA)
where:
Base-Base interactions energy: -44.374
where: short stacking energy: -44.374
Base-Backbone interact. energy: -0.118
local terms energy: -48.643445
where:
bonds (distance) C4'-P energy: -8.992
bonds (distance) P-C4' energy: -11.102
flat angles C4'-P-C4' energy: -11.360
flat angles P-C4'-P energy: -6.438
tors. eta vs tors. theta energy: -10.751
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: 7
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -93.138571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.138571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.138571 (E_RNA)
where:
Base-Base interactions energy: -47.323
where: short stacking energy: -30.135
Base-Backbone interact. energy: -0.220
local terms energy: -45.595747
where:
bonds (distance) C4'-P energy: -10.987
bonds (distance) P-C4' energy: -9.689
flat angles C4'-P-C4' energy: -8.524
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -7.791
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: 5
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -76.210231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.210231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.210231 (E_RNA)
where:
Base-Base interactions energy: -33.283
where: short stacking energy: -33.283
Base-Backbone interact. energy: -0.179
local terms energy: -42.748047
where:
bonds (distance) C4'-P energy: -8.590
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -4.295
tors. eta vs tors. theta energy: -4.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -89.308767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.308767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.308767 (E_RNA)
where:
Base-Base interactions energy: -42.119
where: short stacking energy: -42.119
Base-Backbone interact. energy: -0.023
local terms energy: -47.166519
where:
bonds (distance) C4'-P energy: -11.579
bonds (distance) P-C4' energy: -7.155
flat angles C4'-P-C4' energy: -9.675
flat angles P-C4'-P energy: -7.200
tors. eta vs tors. theta energy: -11.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -72.926331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.926331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.926331 (E_RNA)
where:
Base-Base interactions energy: -30.103
where: short stacking energy: -30.103
Base-Backbone interact. energy: -0.079
local terms energy: -42.744579
where:
bonds (distance) C4'-P energy: -12.871
bonds (distance) P-C4' energy: -8.274
flat angles C4'-P-C4' energy: -10.747
flat angles P-C4'-P energy: -4.196
tors. eta vs tors. theta energy: -6.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -63.890868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.890868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.890868 (E_RNA)
where:
Base-Base interactions energy: -19.252
where: short stacking energy: -17.261
Base-Backbone interact. energy: -0.196
local terms energy: -44.443524
where:
bonds (distance) C4'-P energy: -9.800
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -5.411
tors. eta vs tors. theta energy: -4.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -55.644105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.644105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.644105 (E_RNA)
where:
Base-Base interactions energy: -22.974
where: short stacking energy: -21.516
Base-Backbone interact. energy: -0.134
local terms energy: -32.536604
where:
bonds (distance) C4'-P energy: -7.953
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -10.079
flat angles P-C4'-P energy: -5.422
tors. eta vs tors. theta energy: 2.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -134.432937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.432937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.432937 (E_RNA)
where:
Base-Base interactions energy: -77.935
where: short stacking energy: -53.340
Base-Backbone interact. energy: -0.013
local terms energy: -56.484724
where:
bonds (distance) C4'-P energy: -10.469
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -13.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -135.236191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.236191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.236191 (E_RNA)
where:
Base-Base interactions energy: -82.574
where: short stacking energy: -49.397
Base-Backbone interact. energy: 0.506
local terms energy: -53.168527
where:
bonds (distance) C4'-P energy: -10.508
bonds (distance) P-C4' energy: -11.125
flat angles C4'-P-C4' energy: -10.523
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -12.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -130.209769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.209769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.209769 (E_RNA)
where:
Base-Base interactions energy: -77.437
where: short stacking energy: -46.563
Base-Backbone interact. energy: -0.034
local terms energy: -52.739067
where:
bonds (distance) C4'-P energy: -9.025
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -10.940
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -11.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -89.273699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.273699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.273699 (E_RNA)
where:
Base-Base interactions energy: -42.639
where: short stacking energy: -42.639
Base-Backbone interact. energy: -0.144
local terms energy: -46.490889
where:
bonds (distance) C4'-P energy: -10.412
bonds (distance) P-C4' energy: -9.549
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -5.335
tors. eta vs tors. theta energy: -8.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -81.405590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.405590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.405590 (E_RNA)
where:
Base-Base interactions energy: -33.886
where: short stacking energy: -33.886
Base-Backbone interact. energy: -0.160
local terms energy: -47.360325
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -9.746
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -6.279
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: 6, replica: 7
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -92.144971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.144971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.144971 (E_RNA)
where:
Base-Base interactions energy: -48.347
where: short stacking energy: -29.389
Base-Backbone interact. energy: -0.099
local terms energy: -43.698441
where:
bonds (distance) C4'-P energy: -8.955
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -5.412
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: 7, replica: 9
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -80.341491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.341491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.341491 (E_RNA)
where:
Base-Base interactions energy: -34.464
where: short stacking energy: -33.990
Base-Backbone interact. energy: -0.005
local terms energy: -45.873100
where:
bonds (distance) C4'-P energy: -9.241
bonds (distance) P-C4' energy: -9.581
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: -8.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -61.780715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.780715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.780715 (E_RNA)
where:
Base-Base interactions energy: -15.307
where: short stacking energy: -15.307
Base-Backbone interact. energy: -0.300
local terms energy: -46.173742
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -6.643
tors. eta vs tors. theta energy: -4.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -71.737776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.737776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.737776 (E_RNA)
where:
Base-Base interactions energy: -28.891
where: short stacking energy: -28.891
Base-Backbone interact. energy: -0.001
local terms energy: -42.845527
where:
bonds (distance) C4'-P energy: -9.960
bonds (distance) P-C4' energy: -9.280
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -3.337
tors. eta vs tors. theta energy: -7.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -55.769177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.769177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.769177 (E_RNA)
where:
Base-Base interactions energy: -18.618
where: short stacking energy: -18.618
Base-Backbone interact. energy: -0.071
local terms energy: -37.080228
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -10.057
flat angles P-C4'-P energy: 2.096
tors. eta vs tors. theta energy: -3.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -139.856439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.856439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.856439 (E_RNA)
where:
Base-Base interactions energy: -81.207
where: short stacking energy: -52.519
Base-Backbone interact. energy: -0.002
local terms energy: -58.647153
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -10.411
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -13.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -134.265463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.265463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.265463 (E_RNA)
where:
Base-Base interactions energy: -77.011
where: short stacking energy: -49.117
Base-Backbone interact. energy: -0.063
local terms energy: -57.191554
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -8.191
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -7.970
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: 3, replica: 6
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -127.706999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.706999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.706999 (E_RNA)
where:
Base-Base interactions energy: -74.263
where: short stacking energy: -42.302
Base-Backbone interact. energy: -0.083
local terms energy: -53.361475
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -10.817
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -7.338
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: 4, replica: 5
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -79.845819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.845819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.845819 (E_RNA)
where:
Base-Base interactions energy: -30.669
where: short stacking energy: -30.669
Base-Backbone interact. energy: -0.011
local terms energy: -49.165178
where:
bonds (distance) C4'-P energy: -10.917
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -3.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -78.986299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.986299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.986299 (E_RNA)
where:
Base-Base interactions energy: -31.118
where: short stacking energy: -31.118
Base-Backbone interact. energy: -0.181
local terms energy: -47.687327
where:
bonds (distance) C4'-P energy: -8.252
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -10.941
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: -7.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -76.373499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.373499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.373499 (E_RNA)
where:
Base-Base interactions energy: -29.126
where: short stacking energy: -29.126
Base-Backbone interact. energy: -0.002
local terms energy: -47.244865
where:
bonds (distance) C4'-P energy: -8.698
bonds (distance) P-C4' energy: -10.348
flat angles C4'-P-C4' energy: -11.568
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -7.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -73.305141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.305141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.305141 (E_RNA)
where:
Base-Base interactions energy: -33.665
where: short stacking energy: -21.678
Base-Backbone interact. energy: -0.359
local terms energy: -39.281026
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -7.318
flat angles P-C4'-P energy: -1.836
tors. eta vs tors. theta energy: -5.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -69.677079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.677079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.677079 (E_RNA)
where:
Base-Base interactions energy: -31.048
where: short stacking energy: -24.210
Base-Backbone interact. energy: -0.003
local terms energy: -38.626420
where:
bonds (distance) C4'-P energy: -8.450
bonds (distance) P-C4' energy: -7.796
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -5.590
tors. eta vs tors. theta energy: -3.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -65.788335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.788335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.788335 (E_RNA)
where:
Base-Base interactions energy: -21.416
where: short stacking energy: -21.416
Base-Backbone interact. energy: 0.169
local terms energy: -44.540656
where:
bonds (distance) C4'-P energy: -10.627
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -11.593
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -3.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -60.559002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.559002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.559002 (E_RNA)
where:
Base-Base interactions energy: -29.448
where: short stacking energy: -19.417
Base-Backbone interact. energy: -0.092
local terms energy: -31.018896
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -7.895
flat angles C4'-P-C4' energy: -7.635
flat angles P-C4'-P energy: -6.332
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: 10
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -124.379377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.379377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.379377 (E_RNA)
where:
Base-Base interactions energy: -74.459
where: short stacking energy: -38.948
Base-Backbone interact. energy: -0.007
local terms energy: -49.913638
where:
bonds (distance) C4'-P energy: -9.523
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -5.839
tors. eta vs tors. theta energy: -9.234
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: 298
Temperature: 0.950000
Total energy: -132.518496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.518496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.518496 (E_RNA)
where:
Base-Base interactions energy: -76.965
where: short stacking energy: -47.020
Base-Backbone interact. energy: 0.888
local terms energy: -56.441811
where:
bonds (distance) C4'-P energy: -12.867
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -12.201
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -9.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -137.673677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.673677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.673677 (E_RNA)
where:
Base-Base interactions energy: -81.133
where: short stacking energy: -45.602
Base-Backbone interact. energy: 0.786
local terms energy: -57.326421
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -11.578
flat angles C4'-P-C4' energy: -9.630
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -13.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -89.649698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.649698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.649698 (E_RNA)
where:
Base-Base interactions energy: -42.131
where: short stacking energy: -42.131
Base-Backbone interact. energy: -0.019
local terms energy: -47.500049
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -8.215
flat angles C4'-P-C4' energy: -11.319
flat angles P-C4'-P energy: -5.840
tors. eta vs tors. theta energy: -10.029
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: 298
Temperature: 1.100000
Total energy: -80.860999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.860999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.860999 (E_RNA)
where:
Base-Base interactions energy: -41.022
where: short stacking energy: -30.715
Base-Backbone interact. energy: 0.236
local terms energy: -40.075596
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -11.402
flat angles C4'-P-C4' energy: -7.839
flat angles P-C4'-P energy: -6.716
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: 6, replica: 8
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -77.813115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.813115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.813115 (E_RNA)
where:
Base-Base interactions energy: -30.284
where: short stacking energy: -30.284
Base-Backbone interact. energy: -0.193
local terms energy: -47.336174
where:
bonds (distance) C4'-P energy: -10.243
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -9.333
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -6.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -77.588956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.588956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.588956 (E_RNA)
where:
Base-Base interactions energy: -31.603
where: short stacking energy: -31.603
Base-Backbone interact. energy: -0.251
local terms energy: -45.734371
where:
bonds (distance) C4'-P energy: -6.682
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -7.007
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -11.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -74.440233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.440233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.440233 (E_RNA)
where:
Base-Base interactions energy: -31.527
where: short stacking energy: -31.527
Base-Backbone interact. energy: 0.102
local terms energy: -43.015337
where:
bonds (distance) C4'-P energy: -9.323
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -9.468
flat angles P-C4'-P energy: -6.650
tors. eta vs tors. theta energy: -3.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -57.869367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.869367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.869367 (E_RNA)
where:
Base-Base interactions energy: -22.332
where: short stacking energy: -22.332
Base-Backbone interact. energy: -0.176
local terms energy: -35.361136
where:
bonds (distance) C4'-P energy: -10.793
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -9.893
flat angles P-C4'-P energy: -3.371
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: 10, replica: 2
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -58.767096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.767096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.767096 (E_RNA)
where:
Base-Base interactions energy: -23.436
where: short stacking energy: -22.369
Base-Backbone interact. energy: -0.296
local terms energy: -35.034537
where:
bonds (distance) C4'-P energy: -10.171
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -6.994
flat angles P-C4'-P energy: -5.803
tors. eta vs tors. theta energy: -0.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -128.407249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.407249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.407249 (E_RNA)
where:
Base-Base interactions energy: -74.244
where: short stacking energy: -43.232
Base-Backbone interact. energy: -0.232
local terms energy: -53.931544
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -11.628
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -11.264
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: 6
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -128.322753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.322753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.322753 (E_RNA)
where:
Base-Base interactions energy: -75.199
where: short stacking energy: -48.222
Base-Backbone interact. energy: -0.073
local terms energy: -53.050850
where:
bonds (distance) C4'-P energy: -9.382
bonds (distance) P-C4' energy: -9.034
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -6.282
tors. eta vs tors. theta energy: -14.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -128.834285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.834285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.834285 (E_RNA)
where:
Base-Base interactions energy: -70.878
where: short stacking energy: -41.498
Base-Backbone interact. energy: 0.459
local terms energy: -58.415115
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -11.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -93.872731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.872731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.872731 (E_RNA)
where:
Base-Base interactions energy: -42.420
where: short stacking energy: -42.420
Base-Backbone interact. energy: -0.021
local terms energy: -51.431724
where:
bonds (distance) C4'-P energy: -9.960
bonds (distance) P-C4' energy: -11.834
flat angles C4'-P-C4' energy: -10.935
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -11.365
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: 299
Temperature: 1.100000
Total energy: -79.239922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.239922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.239922 (E_RNA)
where:
Base-Base interactions energy: -37.027
where: short stacking energy: -27.058
Base-Backbone interact. energy: -0.518
local terms energy: -41.695222
where:
bonds (distance) C4'-P energy: -8.015
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -4.179
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -8.079
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: 1
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -76.019808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.019808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.019808 (E_RNA)
where:
Base-Base interactions energy: -31.193
where: short stacking energy: -31.193
Base-Backbone interact. energy: -0.002
local terms energy: -44.824964
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -10.326
flat angles C4'-P-C4' energy: -6.163
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -5.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -81.378356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.378356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.378356 (E_RNA)
where:
Base-Base interactions energy: -36.152
where: short stacking energy: -24.065
Base-Backbone interact. energy: -0.117
local terms energy: -45.110005
where:
bonds (distance) C4'-P energy: -10.925
bonds (distance) P-C4' energy: -8.827
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -3.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -83.022767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.022767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.022767 (E_RNA)
where:
Base-Base interactions energy: -35.045
where: short stacking energy: -35.045
Base-Backbone interact. energy: -0.060
local terms energy: -47.917663
where:
bonds (distance) C4'-P energy: -5.821
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -9.889
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -10.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -67.842234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.842234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.842234 (E_RNA)
where:
Base-Base interactions energy: -24.483
where: short stacking energy: -24.483
Base-Backbone interact. energy: -0.042
local terms energy: -43.317028
where:
bonds (distance) C4'-P energy: -10.777
bonds (distance) P-C4' energy: -9.998
flat angles C4'-P-C4' energy: -11.166
flat angles P-C4'-P energy: -5.510
tors. eta vs tors. theta energy: -5.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -63.123285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.123285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.123285 (E_RNA)
where:
Base-Base interactions energy: -25.950
where: short stacking energy: -20.963
Base-Backbone interact. energy: 0.831
local terms energy: -38.004267
where:
bonds (distance) C4'-P energy: -8.243
bonds (distance) P-C4' energy: -10.567
flat angles C4'-P-C4' energy: -11.731
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: 1.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -133.836300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.836300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.836300 (E_RNA)
where:
Base-Base interactions energy: -78.582
where: short stacking energy: -48.059
Base-Backbone interact. energy: -0.101
local terms energy: -55.152704
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -10.225
flat angles C4'-P-C4' energy: -11.394
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -11.556
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: 300
Temperature: 0.950000
Total energy: -118.043181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.043181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.043181 (E_RNA)
where:
Base-Base interactions energy: -66.034
where: short stacking energy: -37.296
Base-Backbone interact. energy: -0.000
local terms energy: -52.008743
where:
bonds (distance) C4'-P energy: -10.928
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -11.149
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -10.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -134.274764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.274764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.274764 (E_RNA)
where:
Base-Base interactions energy: -83.969
where: short stacking energy: -42.245
Base-Backbone interact. energy: -0.042
local terms energy: -50.264092
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -10.753
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -5.993
tors. eta vs tors. theta energy: -9.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -91.217443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.217443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.217443 (E_RNA)
where:
Base-Base interactions energy: -44.636
where: short stacking energy: -44.636
Base-Backbone interact. energy: -0.042
local terms energy: -46.539436
where:
bonds (distance) C4'-P energy: -9.986
bonds (distance) P-C4' energy: -9.686
flat angles C4'-P-C4' energy: -11.074
flat angles P-C4'-P energy: -4.523
tors. eta vs tors. theta energy: -11.271
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: 9
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -88.114168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.114168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.114168 (E_RNA)
where:
Base-Base interactions energy: -37.089
where: short stacking energy: -37.089
Base-Backbone interact. energy: -0.013
local terms energy: -51.012134
where:
bonds (distance) C4'-P energy: -10.433
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -9.800
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -8.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -78.002934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.002934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.002934 (E_RNA)
where:
Base-Base interactions energy: -32.322
where: short stacking energy: -27.497
Base-Backbone interact. energy: 0.115
local terms energy: -45.795971
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -9.179
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -4.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -77.989541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.989541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.989541 (E_RNA)
where:
Base-Base interactions energy: -29.501
where: short stacking energy: -29.501
Base-Backbone interact. energy: -0.149
local terms energy: -48.339914
where:
bonds (distance) C4'-P energy: -12.279
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -8.611
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -7.450
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: 8
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -69.669129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.669129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.669129 (E_RNA)
where:
Base-Base interactions energy: -26.426
where: short stacking energy: -25.960
Base-Backbone interact. energy: -0.031
local terms energy: -43.212511
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -8.295
flat angles C4'-P-C4' energy: -6.852
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -9.491
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: 300
Temperature: 1.300000
Total energy: -64.215398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.215398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.215398 (E_RNA)
where:
Base-Base interactions energy: -25.380
where: short stacking energy: -25.380
Base-Backbone interact. energy: 0.397
local terms energy: -39.233121
where:
bonds (distance) C4'-P energy: -8.194
bonds (distance) P-C4' energy: -9.371
flat angles C4'-P-C4' energy: -9.562
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -3.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -60.193625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.193625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.193625 (E_RNA)
where:
Base-Base interactions energy: -28.949
where: short stacking energy: -16.219
Base-Backbone interact. energy: -0.029
local terms energy: -31.215885
where:
bonds (distance) C4'-P energy: -4.108
bonds (distance) P-C4' energy: -10.725
flat angles C4'-P-C4' energy: -10.155
flat angles P-C4'-P energy: -6.459
tors. eta vs tors. theta energy: 0.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -134.429267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.429267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.429267 (E_RNA)
where:
Base-Base interactions energy: -77.325
where: short stacking energy: -49.870
Base-Backbone interact. energy: -0.010
local terms energy: -57.093714
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -11.087
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -11.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -131.582020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.582020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.582020 (E_RNA)
where:
Base-Base interactions energy: -77.921
where: short stacking energy: -48.177
Base-Backbone interact. energy: -0.001
local terms energy: -53.659466
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -9.716
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -10.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -118.477554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.477554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.477554 (E_RNA)
where:
Base-Base interactions energy: -63.156
where: short stacking energy: -35.545
Base-Backbone interact. energy: -0.020
local terms energy: -55.300598
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -6.654
tors. eta vs tors. theta energy: -8.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -81.373943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.373943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.373943 (E_RNA)
where:
Base-Base interactions energy: -32.496
where: short stacking energy: -32.496
Base-Backbone interact. energy: -0.002
local terms energy: -48.875707
where:
bonds (distance) C4'-P energy: -10.962
bonds (distance) P-C4' energy: -11.283
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -5.652
tors. eta vs tors. theta energy: -7.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -79.870824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.870824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.870824 (E_RNA)
where:
Base-Base interactions energy: -31.121
where: short stacking energy: -31.121
Base-Backbone interact. energy: -0.005
local terms energy: -48.745483
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -11.076
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -5.239
tors. eta vs tors. theta energy: -9.648
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: 1
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -76.504876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.504876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.504876 (E_RNA)
where:
Base-Base interactions energy: -28.381
where: short stacking energy: -28.381
Base-Backbone interact. energy: -0.035
local terms energy: -48.089288
where:
bonds (distance) C4'-P energy: -8.947
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -5.919
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: 7
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -69.637516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.637516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.637516 (E_RNA)
where:
Base-Base interactions energy: -25.575
where: short stacking energy: -25.197
Base-Backbone interact. energy: -0.192
local terms energy: -43.869997
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -10.200
flat angles C4'-P-C4' energy: -11.238
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -2.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -72.532872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.532872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.532872 (E_RNA)
where:
Base-Base interactions energy: -31.859
where: short stacking energy: -26.875
Base-Backbone interact. energy: -0.012
local terms energy: -40.662663
where:
bonds (distance) C4'-P energy: -9.923
bonds (distance) P-C4' energy: -9.975
flat angles C4'-P-C4' energy: -8.037
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -3.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -69.310871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.310871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.310871 (E_RNA)
where:
Base-Base interactions energy: -27.837
where: short stacking energy: -20.604
Base-Backbone interact. energy: -0.169
local terms energy: -41.305447
where:
bonds (distance) C4'-P energy: -8.790
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -5.818
tors. eta vs tors. theta energy: -2.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -68.300631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.300631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.300631 (E_RNA)
where:
Base-Base interactions energy: -22.144
where: short stacking energy: -21.800
Base-Backbone interact. energy: 0.520
local terms energy: -46.676056
where:
bonds (distance) C4'-P energy: -9.488
bonds (distance) P-C4' energy: -12.040
flat angles C4'-P-C4' energy: -11.132
flat angles P-C4'-P energy: -8.035
tors. eta vs tors. theta energy: -5.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -147.734006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.734006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.734006 (E_RNA)
where:
Base-Base interactions energy: -89.424
where: short stacking energy: -52.939
Base-Backbone interact. energy: -0.004
local terms energy: -58.306503
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -9.087
flat angles P-C4'-P energy: -7.091
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: 2, replica: 10
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -133.826876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.826876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.826876 (E_RNA)
where:
Base-Base interactions energy: -77.554
where: short stacking energy: -43.226
Base-Backbone interact. energy: -0.106
local terms energy: -56.166451
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -10.924
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -9.176
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: 4
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -142.340170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.340170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.340170 (E_RNA)
where:
Base-Base interactions energy: -86.075
where: short stacking energy: -51.628
Base-Backbone interact. energy: 0.133
local terms energy: -56.397772
where:
bonds (distance) C4'-P energy: -8.532
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -8.799
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: 4, replica: 9
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -87.605568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.605568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.605568 (E_RNA)
where:
Base-Base interactions energy: -38.169
where: short stacking energy: -38.169
Base-Backbone interact. energy: -0.114
local terms energy: -49.323239
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -9.935
flat angles P-C4'-P energy: -5.269
tors. eta vs tors. theta energy: -8.561
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: 1
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -75.933682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.933682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.933682 (E_RNA)
where:
Base-Base interactions energy: -21.876
where: short stacking energy: -21.876
Base-Backbone interact. energy: -0.032
local terms energy: -54.025578
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -9.207
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: 6, replica: 5
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -68.263077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.263077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.263077 (E_RNA)
where:
Base-Base interactions energy: -27.062
where: short stacking energy: -27.062
Base-Backbone interact. energy: 0.262
local terms energy: -41.462732
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -10.227
flat angles C4'-P-C4' energy: -5.078
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -5.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -70.960654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.960654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.960654 (E_RNA)
where:
Base-Base interactions energy: -33.725
where: short stacking energy: -29.708
Base-Backbone interact. energy: -0.117
local terms energy: -37.118285
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -9.650
flat angles C4'-P-C4' energy: -6.864
flat angles P-C4'-P energy: -0.701
tors. eta vs tors. theta energy: -7.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -80.784684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.784684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.784684 (E_RNA)
where:
Base-Base interactions energy: -33.411
where: short stacking energy: -33.411
Base-Backbone interact. energy: -0.004
local terms energy: -47.369845
where:
bonds (distance) C4'-P energy: -9.613
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -9.766
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -7.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -58.739749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.739749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.739749 (E_RNA)
where:
Base-Base interactions energy: -19.674
where: short stacking energy: -19.674
Base-Backbone interact. energy: -0.172
local terms energy: -38.894035
where:
bonds (distance) C4'-P energy: -8.772
bonds (distance) P-C4' energy: -11.759
flat angles C4'-P-C4' energy: -10.104
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: 0.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -74.147880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.147880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.147880 (E_RNA)
where:
Base-Base interactions energy: -28.665
where: short stacking energy: -28.665
Base-Backbone interact. energy: -0.097
local terms energy: -45.386254
where:
bonds (distance) C4'-P energy: -10.379
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -5.865
tors. eta vs tors. theta energy: -6.500
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: 1, replica: 6
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -140.875769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.875769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.875769 (E_RNA)
where:
Base-Base interactions energy: -82.621
where: short stacking energy: -47.729
Base-Backbone interact. energy: -0.014
local terms energy: -58.240483
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -11.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -126.339644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.339644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.339644 (E_RNA)
where:
Base-Base interactions energy: -74.142
where: short stacking energy: -39.985
Base-Backbone interact. energy: -0.115
local terms energy: -52.083057
where:
bonds (distance) C4'-P energy: -11.389
bonds (distance) P-C4' energy: -10.112
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -7.265
tors. eta vs tors. theta energy: -9.060
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: 4
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -134.043307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.043307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.043307 (E_RNA)
where:
Base-Base interactions energy: -76.401
where: short stacking energy: -47.832
Base-Backbone interact. energy: 0.709
local terms energy: -58.351136
where:
bonds (distance) C4'-P energy: -11.335
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -8.224
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: 4, replica: 9
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -118.321113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.321113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.321113 (E_RNA)
where:
Base-Base interactions energy: -71.195
where: short stacking energy: -47.192
Base-Backbone interact. energy: -0.125
local terms energy: -47.000693
where:
bonds (distance) C4'-P energy: -9.782
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -8.927
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -8.022
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: 1
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -90.260313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.260313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.260313 (E_RNA)
where:
Base-Base interactions energy: -37.873
where: short stacking energy: -37.873
Base-Backbone interact. energy: 0.374
local terms energy: -52.762013
where:
bonds (distance) C4'-P energy: -9.659
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -9.782
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -11.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -71.407532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.407532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.407532 (E_RNA)
where:
Base-Base interactions energy: -30.854
where: short stacking energy: -28.275
Base-Backbone interact. energy: -0.267
local terms energy: -40.286474
where:
bonds (distance) C4'-P energy: -10.818
bonds (distance) P-C4' energy: -11.237
flat angles C4'-P-C4' energy: -10.534
flat angles P-C4'-P energy: -6.753
tors. eta vs tors. theta energy: -0.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -72.290365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.290365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.290365 (E_RNA)
where:
Base-Base interactions energy: -27.997
where: short stacking energy: -18.401
Base-Backbone interact. energy: -0.090
local terms energy: -44.203506
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -11.568
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -0.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -73.254314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.254314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.254314 (E_RNA)
where:
Base-Base interactions energy: -27.285
where: short stacking energy: -25.258
Base-Backbone interact. energy: -0.006
local terms energy: -45.963572
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -10.259
flat angles P-C4'-P energy: -4.178
tors. eta vs tors. theta energy: -6.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -63.262588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.262588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.262588 (E_RNA)
where:
Base-Base interactions energy: -25.799
where: short stacking energy: -21.130
Base-Backbone interact. energy: -0.109
local terms energy: -37.354952
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -11.991
flat angles C4'-P-C4' energy: -3.414
flat angles P-C4'-P energy: -8.346
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: 303
Temperature: 1.350000
Total energy: -73.422763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.422763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.422763 (E_RNA)
where:
Base-Base interactions energy: -32.211
where: short stacking energy: -32.211
Base-Backbone interact. energy: -0.009
local terms energy: -41.203527
where:
bonds (distance) C4'-P energy: -7.784
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -9.501
flat angles P-C4'-P energy: -2.397
tors. eta vs tors. theta energy: -9.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -136.196480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.196480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.196480 (E_RNA)
where:
Base-Base interactions energy: -75.780
where: short stacking energy: -47.298
Base-Backbone interact. energy: -0.004
local terms energy: -60.412435
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: -12.749
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: 2, replica: 6
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -131.408478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.408478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.408478 (E_RNA)
where:
Base-Base interactions energy: -72.872
where: short stacking energy: -47.312
Base-Backbone interact. energy: -0.047
local terms energy: -58.489566
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -10.446
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -9.828
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: 3, replica: 4
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -131.808378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.808378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.808378 (E_RNA)
where:
Base-Base interactions energy: -79.608
where: short stacking energy: -48.276
Base-Backbone interact. energy: -0.105
local terms energy: -52.095147
where:
bonds (distance) C4'-P energy: -6.876
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -4.509
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: 4, replica: 9
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -99.656149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.656149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.656149 (E_RNA)
where:
Base-Base interactions energy: -57.465
where: short stacking energy: -34.132
Base-Backbone interact. energy: -0.138
local terms energy: -42.053610
where:
bonds (distance) C4'-P energy: -9.294
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -10.095
flat angles P-C4'-P energy: -5.318
tors. eta vs tors. theta energy: -4.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -90.870965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.870965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.870965 (E_RNA)
where:
Base-Base interactions energy: -47.224
where: short stacking energy: -29.489
Base-Backbone interact. energy: 0.206
local terms energy: -43.852957
where:
bonds (distance) C4'-P energy: -13.430
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -7.080
flat angles P-C4'-P energy: -5.959
tors. eta vs tors. theta energy: -4.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -73.438152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.438152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.438152 (E_RNA)
where:
Base-Base interactions energy: -27.931
where: short stacking energy: -27.931
Base-Backbone interact. energy: -0.139
local terms energy: -45.368493
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -6.005
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -7.556
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: 304
Temperature: 1.200000
Total energy: -72.112039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.112039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.112039 (E_RNA)
where:
Base-Base interactions energy: -27.704
where: short stacking energy: -27.704
Base-Backbone interact. energy: -0.101
local terms energy: -44.307653
where:
bonds (distance) C4'-P energy: -8.463
bonds (distance) P-C4' energy: -9.656
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -5.446
tors. eta vs tors. theta energy: -8.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -64.635146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.635146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.635146 (E_RNA)
where:
Base-Base interactions energy: -22.641
where: short stacking energy: -18.783
Base-Backbone interact. energy: -0.137
local terms energy: -41.857415
where:
bonds (distance) C4'-P energy: -10.557
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -10.957
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: 2.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -67.961771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.961771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.961771 (E_RNA)
where:
Base-Base interactions energy: -24.101
where: short stacking energy: -22.234
Base-Backbone interact. energy: -0.266
local terms energy: -43.594810
where:
bonds (distance) C4'-P energy: -9.451
bonds (distance) P-C4' energy: -11.075
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -2.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -58.470385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.470385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.470385 (E_RNA)
where:
Base-Base interactions energy: -27.072
where: short stacking energy: -27.072
Base-Backbone interact. energy: -0.113
local terms energy: -31.285704
where:
bonds (distance) C4'-P energy: -8.980
bonds (distance) P-C4' energy: -9.464
flat angles C4'-P-C4' energy: -7.206
flat angles P-C4'-P energy: -2.882
tors. eta vs tors. theta energy: -2.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -149.035399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.035399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.035399 (E_RNA)
where:
Base-Base interactions energy: -88.900
where: short stacking energy: -55.520
Base-Backbone interact. energy: -0.006
local terms energy: -60.129246
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -9.809
flat angles P-C4'-P energy: -9.024
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: 2, replica: 4
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -131.462718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.462718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.462718 (E_RNA)
where:
Base-Base interactions energy: -77.016
where: short stacking energy: -46.639
Base-Backbone interact. energy: 0.118
local terms energy: -54.564518
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -9.682
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -11.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -125.791628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.791628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.791628 (E_RNA)
where:
Base-Base interactions energy: -71.674
where: short stacking energy: -43.811
Base-Backbone interact. energy: -0.037
local terms energy: -54.080688
where:
bonds (distance) C4'-P energy: -12.590
bonds (distance) P-C4' energy: -9.904
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -5.565
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: 4, replica: 8
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -90.233520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.233520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.233520 (E_RNA)
where:
Base-Base interactions energy: -46.049
where: short stacking energy: -44.400
Base-Backbone interact. energy: -0.003
local terms energy: -44.181243
where:
bonds (distance) C4'-P energy: -5.472
bonds (distance) P-C4' energy: -10.606
flat angles C4'-P-C4' energy: -7.788
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -11.743
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: 9
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -90.262030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.262030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.262030 (E_RNA)
where:
Base-Base interactions energy: -38.934
where: short stacking energy: -38.934
Base-Backbone interact. energy: -0.035
local terms energy: -51.292573
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -11.162
flat angles C4'-P-C4' energy: -10.506
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -8.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -74.170287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.170287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.170287 (E_RNA)
where:
Base-Base interactions energy: -31.536
where: short stacking energy: -26.303
Base-Backbone interact. energy: -0.083
local terms energy: -42.551260
where:
bonds (distance) C4'-P energy: -6.239
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -10.640
flat angles P-C4'-P energy: -6.121
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: 7, replica: 1
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -72.647889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.647889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.647889 (E_RNA)
where:
Base-Base interactions energy: -29.147
where: short stacking energy: -27.904
Base-Backbone interact. energy: -0.135
local terms energy: -43.365841
where:
bonds (distance) C4'-P energy: -9.496
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -9.672
flat angles P-C4'-P energy: -4.983
tors. eta vs tors. theta energy: -5.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -75.478649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.478649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.478649 (E_RNA)
where:
Base-Base interactions energy: -37.588
where: short stacking energy: -29.307
Base-Backbone interact. energy: -0.059
local terms energy: -37.831914
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -7.306
flat angles C4'-P-C4' energy: -5.925
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -4.075
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: 5
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -74.028893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.028893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.028893 (E_RNA)
where:
Base-Base interactions energy: -30.032
where: short stacking energy: -30.032
Base-Backbone interact. energy: -0.354
local terms energy: -43.642955
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -10.531
flat angles C4'-P-C4' energy: -7.438
flat angles P-C4'-P energy: -6.825
tors. eta vs tors. theta energy: -6.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -63.888446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.888446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.888446 (E_RNA)
where:
Base-Base interactions energy: -20.924
where: short stacking energy: -20.924
Base-Backbone interact. energy: -0.039
local terms energy: -42.924913
where:
bonds (distance) C4'-P energy: -9.062
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -3.718
tors. eta vs tors. theta energy: -5.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -133.480661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.480661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.480661 (E_RNA)
where:
Base-Base interactions energy: -79.477
where: short stacking energy: -47.394
Base-Backbone interact. energy: -0.018
local terms energy: -53.985386
where:
bonds (distance) C4'-P energy: -10.733
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -10.526
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -12.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -132.447040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.447040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.447040 (E_RNA)
where:
Base-Base interactions energy: -78.129
where: short stacking energy: -48.725
Base-Backbone interact. energy: -0.053
local terms energy: -54.265592
where:
bonds (distance) C4'-P energy: -10.615
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -6.425
tors. eta vs tors. theta energy: -11.654
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: 8
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -100.210993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.210993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.210993 (E_RNA)
where:
Base-Base interactions energy: -47.454
where: short stacking energy: -40.005
Base-Backbone interact. energy: -0.068
local terms energy: -52.688978
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -9.092
flat angles P-C4'-P energy: -6.262
tors. eta vs tors. theta energy: -11.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -118.253235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.253235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.253235 (E_RNA)
where:
Base-Base interactions energy: -64.897
where: short stacking energy: -34.964
Base-Backbone interact. energy: -0.008
local terms energy: -53.348192
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -12.417
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -8.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -74.265221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.265221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.265221 (E_RNA)
where:
Base-Base interactions energy: -24.491
where: short stacking energy: -24.491
Base-Backbone interact. energy: -0.969
local terms energy: -48.805447
where:
bonds (distance) C4'-P energy: -11.699
bonds (distance) P-C4' energy: -11.178
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -4.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -77.403664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.403664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.403664 (E_RNA)
where:
Base-Base interactions energy: -29.998
where: short stacking energy: -29.998
Base-Backbone interact. energy: -0.070
local terms energy: -47.335693
where:
bonds (distance) C4'-P energy: -11.335
bonds (distance) P-C4' energy: -11.565
flat angles C4'-P-C4' energy: -11.455
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -4.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -81.893855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.893855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.893855 (E_RNA)
where:
Base-Base interactions energy: -28.071
where: short stacking energy: -28.071
Base-Backbone interact. energy: -0.008
local terms energy: -53.814376
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -5.303
tors. eta vs tors. theta energy: -12.767
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: 8, replica: 1
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -64.229613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.229613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.229613 (E_RNA)
where:
Base-Base interactions energy: -22.742
where: short stacking energy: -22.742
Base-Backbone interact. energy: -0.010
local terms energy: -41.477993
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -7.460
flat angles P-C4'-P energy: -5.445
tors. eta vs tors. theta energy: -3.958
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: 9, replica: 2
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -66.607819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.607819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.607819 (E_RNA)
where:
Base-Base interactions energy: -27.933
where: short stacking energy: -27.933
Base-Backbone interact. energy: 1.370
local terms energy: -40.044830
where:
bonds (distance) C4'-P energy: -9.431
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -4.110
tors. eta vs tors. theta energy: -0.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -62.984869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.984869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.984869 (E_RNA)
where:
Base-Base interactions energy: -28.909
where: short stacking energy: -13.485
Base-Backbone interact. energy: -0.008
local terms energy: -34.067596
where:
bonds (distance) C4'-P energy: -9.638
bonds (distance) P-C4' energy: -8.172
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -4.459
tors. eta vs tors. theta energy: 0.050
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: 1, replica: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -138.192591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.192591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.192591 (E_RNA)
where:
Base-Base interactions energy: -79.290
where: short stacking energy: -52.806
Base-Backbone interact. energy: -0.004
local terms energy: -58.899285
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -9.817
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -15.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -142.998649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.998649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.998649 (E_RNA)
where:
Base-Base interactions energy: -84.120
where: short stacking energy: -53.093
Base-Backbone interact. energy: -0.007
local terms energy: -58.871618
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -11.336
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -15.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -89.246458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.246458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.246458 (E_RNA)
where:
Base-Base interactions energy: -46.494
where: short stacking energy: -29.269
Base-Backbone interact. energy: -0.003
local terms energy: -42.749100
where:
bonds (distance) C4'-P energy: -9.510
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -9.970
flat angles P-C4'-P energy: -6.728
tors. eta vs tors. theta energy: -4.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -123.012687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.012687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.012687 (E_RNA)
where:
Base-Base interactions energy: -70.227
where: short stacking energy: -37.485
Base-Backbone interact. energy: -0.268
local terms energy: -52.517046
where:
bonds (distance) C4'-P energy: -10.028
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: -9.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -72.204882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.204882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.204882 (E_RNA)
where:
Base-Base interactions energy: -26.753
where: short stacking energy: -26.346
Base-Backbone interact. energy: -0.089
local terms energy: -45.362729
where:
bonds (distance) C4'-P energy: -10.685
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -6.993
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: -9.240
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: 7
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -91.768940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.768940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.768940 (E_RNA)
where:
Base-Base interactions energy: -34.522
where: short stacking energy: -34.522
Base-Backbone interact. energy: -0.000
local terms energy: -57.247133
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -11.034
flat angles C4'-P-C4' energy: -11.776
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -11.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -75.981725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.981725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.981725 (E_RNA)
where:
Base-Base interactions energy: -32.099
where: short stacking energy: -25.568
Base-Backbone interact. energy: -0.180
local terms energy: -43.703433
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -11.186
flat angles P-C4'-P energy: -5.470
tors. eta vs tors. theta energy: -1.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -71.618690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.618690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.618690 (E_RNA)
where:
Base-Base interactions energy: -27.746
where: short stacking energy: -27.746
Base-Backbone interact. energy: 0.316
local terms energy: -44.189273
where:
bonds (distance) C4'-P energy: -8.310
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -2.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -70.068195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.068195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.068195 (E_RNA)
where:
Base-Base interactions energy: -32.737
where: short stacking energy: -32.151
Base-Backbone interact. energy: -0.016
local terms energy: -37.315011
where:
bonds (distance) C4'-P energy: -7.465
bonds (distance) P-C4' energy: -6.506
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -3.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -60.405850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.405850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.405850 (E_RNA)
where:
Base-Base interactions energy: -17.914
where: short stacking energy: -17.914
Base-Backbone interact. energy: -0.056
local terms energy: -42.435645
where:
bonds (distance) C4'-P energy: -8.297
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -10.117
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -2.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -147.599684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.599684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.599684 (E_RNA)
where:
Base-Base interactions energy: -87.301
where: short stacking energy: -51.708
Base-Backbone interact. energy: -0.024
local terms energy: -60.274910
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -12.893
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -14.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -130.287655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.287655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.287655 (E_RNA)
where:
Base-Base interactions energy: -76.130
where: short stacking energy: -45.147
Base-Backbone interact. energy: -0.015
local terms energy: -54.142768
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -10.661
flat angles C4'-P-C4' energy: -10.923
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -10.303
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: 6
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -112.193301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.193301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.193301 (E_RNA)
where:
Base-Base interactions energy: -61.449
where: short stacking energy: -34.049
Base-Backbone interact. energy: -0.194
local terms energy: -50.550480
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -12.229
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -5.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -78.993662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.993662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.993662 (E_RNA)
where:
Base-Base interactions energy: -42.457
where: short stacking energy: -16.812
Base-Backbone interact. energy: -0.390
local terms energy: -36.146285
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -10.160
flat angles C4'-P-C4' energy: -6.460
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: 2.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -77.542227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.542227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.542227 (E_RNA)
where:
Base-Base interactions energy: -37.951
where: short stacking energy: -37.951
Base-Backbone interact. energy: -0.137
local terms energy: -39.454456
where:
bonds (distance) C4'-P energy: -9.242
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -7.175
flat angles P-C4'-P energy: -5.719
tors. eta vs tors. theta energy: -5.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -85.701496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.701496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.701496 (E_RNA)
where:
Base-Base interactions energy: -39.900
where: short stacking energy: -39.900
Base-Backbone interact. energy: -0.001
local terms energy: -45.800561
where:
bonds (distance) C4'-P energy: -12.043
bonds (distance) P-C4' energy: -9.961
flat angles C4'-P-C4' energy: -10.715
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -6.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -76.576146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.576146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.576146 (E_RNA)
where:
Base-Base interactions energy: -34.318
where: short stacking energy: -24.601
Base-Backbone interact. energy: -0.142
local terms energy: -42.116265
where:
bonds (distance) C4'-P energy: -7.229
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -8.952
flat angles P-C4'-P energy: -6.347
tors. eta vs tors. theta energy: -6.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -66.019196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.019196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.019196 (E_RNA)
where:
Base-Base interactions energy: -22.444
where: short stacking energy: -22.444
Base-Backbone interact. energy: -0.069
local terms energy: -43.506575
where:
bonds (distance) C4'-P energy: -11.128
bonds (distance) P-C4' energy: -9.912
flat angles C4'-P-C4' energy: -7.624
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -6.612
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: 5
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -74.875734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.875734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.875734 (E_RNA)
where:
Base-Base interactions energy: -36.538
where: short stacking energy: -22.586
Base-Backbone interact. energy: -0.271
local terms energy: -38.066369
where:
bonds (distance) C4'-P energy: -8.558
bonds (distance) P-C4' energy: -14.932
flat angles C4'-P-C4' energy: -4.171
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -2.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -62.732621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.732621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.732621 (E_RNA)
where:
Base-Base interactions energy: -17.852
where: short stacking energy: -17.852
Base-Backbone interact. energy: -0.003
local terms energy: -44.877398
where:
bonds (distance) C4'-P energy: -11.173
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -8.477
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -2.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -143.549288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.549288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.549288 (E_RNA)
where:
Base-Base interactions energy: -85.371
where: short stacking energy: -55.167
Base-Backbone interact. energy: -0.020
local terms energy: -58.158453
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -12.057
flat angles P-C4'-P energy: -6.425
tors. eta vs tors. theta energy: -14.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -115.347328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.347328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.347328 (E_RNA)
where:
Base-Base interactions energy: -65.096
where: short stacking energy: -29.236
Base-Backbone interact. energy: -0.030
local terms energy: -50.221452
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -5.497
tors. eta vs tors. theta energy: -7.015
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: 309
Temperature: 1.000000
Total energy: -124.094929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.094929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.094929 (E_RNA)
where:
Base-Base interactions energy: -69.443
where: short stacking energy: -44.561
Base-Backbone interact. energy: -0.017
local terms energy: -54.634587
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -10.843
flat angles C4'-P-C4' energy: -10.275
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -10.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -84.520971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.520971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.520971 (E_RNA)
where:
Base-Base interactions energy: -30.343
where: short stacking energy: -30.343
Base-Backbone interact. energy: -0.032
local terms energy: -54.146193
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -6.575
tors. eta vs tors. theta energy: -7.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -81.031243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.031243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.031243 (E_RNA)
where:
Base-Base interactions energy: -33.964
where: short stacking energy: -33.964
Base-Backbone interact. energy: -0.278
local terms energy: -46.789472
where:
bonds (distance) C4'-P energy: -10.901
bonds (distance) P-C4' energy: -9.877
flat angles C4'-P-C4' energy: -9.654
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -6.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -81.021611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.021611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.021611 (E_RNA)
where:
Base-Base interactions energy: -31.710
where: short stacking energy: -31.710
Base-Backbone interact. energy: -0.001
local terms energy: -49.309872
where:
bonds (distance) C4'-P energy: -9.355
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -8.180
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: 2
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -70.464712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.464712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.464712 (E_RNA)
where:
Base-Base interactions energy: -32.941
where: short stacking energy: -29.952
Base-Backbone interact. energy: -0.276
local terms energy: -37.247846
where:
bonds (distance) C4'-P energy: -7.055
bonds (distance) P-C4' energy: -11.261
flat angles C4'-P-C4' energy: -7.762
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -4.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -75.453274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.453274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.453274 (E_RNA)
where:
Base-Base interactions energy: -30.549
where: short stacking energy: -30.549
Base-Backbone interact. energy: -0.327
local terms energy: -44.577726
where:
bonds (distance) C4'-P energy: -6.612
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -6.988
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: 9, replica: 3
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -72.424846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.424846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.424846 (E_RNA)
where:
Base-Base interactions energy: -28.410
where: short stacking energy: -28.410
Base-Backbone interact. energy: -0.056
local terms energy: -43.958667
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -11.227
flat angles C4'-P-C4' energy: -10.549
flat angles P-C4'-P energy: -3.306
tors. eta vs tors. theta energy: -8.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -60.679042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.679042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.679042 (E_RNA)
where:
Base-Base interactions energy: -17.686
where: short stacking energy: -17.686
Base-Backbone interact. energy: -1.219
local terms energy: -41.773467
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -1.616
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: 1, replica: 10
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -144.934916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.934916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.934916 (E_RNA)
where:
Base-Base interactions energy: -82.792
where: short stacking energy: -50.649
Base-Backbone interact. energy: -0.030
local terms energy: -62.113720
where:
bonds (distance) C4'-P energy: -11.629
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -6.708
tors. eta vs tors. theta energy: -16.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -111.565459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.565459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.565459 (E_RNA)
where:
Base-Base interactions energy: -58.749
where: short stacking energy: -34.229
Base-Backbone interact. energy: -0.222
local terms energy: -52.594977
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -7.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -97.556900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.556900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.556900 (E_RNA)
where:
Base-Base interactions energy: -45.816
where: short stacking energy: -45.816
Base-Backbone interact. energy: -0.059
local terms energy: -51.682259
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -10.293
flat angles C4'-P-C4' energy: -11.277
flat angles P-C4'-P energy: -6.083
tors. eta vs tors. theta energy: -12.492
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: 4, replica: 4
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -122.304529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.304529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.304529 (E_RNA)
where:
Base-Base interactions energy: -77.379
where: short stacking energy: -40.348
Base-Backbone interact. energy: -0.010
local terms energy: -44.914879
where:
bonds (distance) C4'-P energy: -9.489
bonds (distance) P-C4' energy: -11.765
flat angles C4'-P-C4' energy: -8.664
flat angles P-C4'-P energy: -4.402
tors. eta vs tors. theta energy: -10.595
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: 5, replica: 9
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -81.242620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.242620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.242620 (E_RNA)
where:
Base-Base interactions energy: -32.965
where: short stacking energy: -27.872
Base-Backbone interact. energy: -0.009
local terms energy: -48.268986
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -8.995
flat angles P-C4'-P energy: -7.908
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: 6, replica: 8
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -79.135174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.135174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.135174 (E_RNA)
where:
Base-Base interactions energy: -36.122
where: short stacking energy: -36.122
Base-Backbone interact. energy: -0.019
local terms energy: -42.993891
where:
bonds (distance) C4'-P energy: -8.789
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -7.467
flat angles P-C4'-P energy: -6.519
tors. eta vs tors. theta energy: -8.944
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: 7, replica: 5
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -73.103828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.103828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.103828 (E_RNA)
where:
Base-Base interactions energy: -26.437
where: short stacking energy: -25.799
Base-Backbone interact. energy: -0.367
local terms energy: -46.299649
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -9.188
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -5.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -71.769925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.769925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.769925 (E_RNA)
where:
Base-Base interactions energy: -33.967
where: short stacking energy: -33.967
Base-Backbone interact. energy: -0.092
local terms energy: -37.710953
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -9.280
flat angles C4'-P-C4' energy: -1.826
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: -6.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -61.541265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.541265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.541265 (E_RNA)
where:
Base-Base interactions energy: -26.230
where: short stacking energy: -26.230
Base-Backbone interact. energy: -0.062
local terms energy: -35.249514
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -8.824
flat angles C4'-P-C4' energy: -7.620
flat angles P-C4'-P energy: -4.022
tors. eta vs tors. theta energy: -3.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -68.529587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.529587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.529587 (E_RNA)
where:
Base-Base interactions energy: -25.512
where: short stacking energy: -18.551
Base-Backbone interact. energy: -0.084
local terms energy: -42.933343
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -2.740
tors. eta vs tors. theta energy: -4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -143.958563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.958563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.958563 (E_RNA)
where:
Base-Base interactions energy: -86.765
where: short stacking energy: -50.783
Base-Backbone interact. energy: -0.002
local terms energy: -57.191423
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -12.129
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -8.410
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: 2, replica: 7
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -96.884184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.884184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.884184 (E_RNA)
where:
Base-Base interactions energy: -44.284
where: short stacking energy: -44.284
Base-Backbone interact. energy: -0.171
local terms energy: -52.429392
where:
bonds (distance) C4'-P energy: -8.140
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -10.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -109.258860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.258860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.258860 (E_RNA)
where:
Base-Base interactions energy: -58.074
where: short stacking energy: -29.517
Base-Backbone interact. energy: -0.268
local terms energy: -50.916709
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -3.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -129.364873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.364873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.364873 (E_RNA)
where:
Base-Base interactions energy: -73.419
where: short stacking energy: -40.739
Base-Backbone interact. energy: -0.003
local terms energy: -55.942658
where:
bonds (distance) C4'-P energy: -12.768
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -8.815
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -12.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -72.779314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.779314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.779314 (E_RNA)
where:
Base-Base interactions energy: -29.382
where: short stacking energy: -29.382
Base-Backbone interact. energy: 0.358
local terms energy: -43.755652
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -7.572
flat angles P-C4'-P energy: -6.074
tors. eta vs tors. theta energy: -4.765
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: 5
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -82.409917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.409917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.409917 (E_RNA)
where:
Base-Base interactions energy: -35.262
where: short stacking energy: -35.262
Base-Backbone interact. energy: -0.299
local terms energy: -46.849338
where:
bonds (distance) C4'-P energy: -10.462
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -4.644
tors. eta vs tors. theta energy: -7.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -74.426271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.426271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.426271 (E_RNA)
where:
Base-Base interactions energy: -30.070
where: short stacking energy: -30.070
Base-Backbone interact. energy: -0.020
local terms energy: -44.335603
where:
bonds (distance) C4'-P energy: -9.800
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -8.556
flat angles P-C4'-P energy: -6.405
tors. eta vs tors. theta energy: -5.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -70.679264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.679264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.679264 (E_RNA)
where:
Base-Base interactions energy: -31.841
where: short stacking energy: -31.841
Base-Backbone interact. energy: -0.045
local terms energy: -38.793354
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -9.216
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -5.709
tors. eta vs tors. theta energy: 1.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -63.789534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.789534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.789534 (E_RNA)
where:
Base-Base interactions energy: -22.289
where: short stacking energy: -22.289
Base-Backbone interact. energy: -0.008
local terms energy: -41.492282
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -10.538
flat angles P-C4'-P energy: -4.590
tors. eta vs tors. theta energy: -3.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -65.620533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.620533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.620533 (E_RNA)
where:
Base-Base interactions energy: -24.439
where: short stacking energy: -24.324
Base-Backbone interact. energy: -0.018
local terms energy: -41.163501
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -7.757
flat angles C4'-P-C4' energy: -10.203
flat angles P-C4'-P energy: -5.521
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: 10
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -130.339089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.339089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.339089 (E_RNA)
where:
Base-Base interactions energy: -76.197
where: short stacking energy: -51.337
Base-Backbone interact. energy: -0.146
local terms energy: -53.996155
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -12.463
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -5.876
tors. eta vs tors. theta energy: -12.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -101.454671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.454671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.454671 (E_RNA)
where:
Base-Base interactions energy: -46.913
where: short stacking energy: -46.913
Base-Backbone interact. energy: -0.036
local terms energy: -54.505693
where:
bonds (distance) C4'-P energy: -10.002
bonds (distance) P-C4' energy: -10.007
flat angles C4'-P-C4' energy: -10.501
flat angles P-C4'-P energy: -9.769
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: 3, replica: 4
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -118.905795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.905795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.905795 (E_RNA)
where:
Base-Base interactions energy: -65.698
where: short stacking energy: -40.016
Base-Backbone interact. energy: -0.292
local terms energy: -52.915624
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -4.761
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: 4, replica: 6
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -117.069898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.069898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.069898 (E_RNA)
where:
Base-Base interactions energy: -65.161
where: short stacking energy: -36.317
Base-Backbone interact. energy: -0.003
local terms energy: -51.905326
where:
bonds (distance) C4'-P energy: -8.172
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -11.322
flat angles P-C4'-P energy: -7.102
tors. eta vs tors. theta energy: -12.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -104.655332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.655332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.655332 (E_RNA)
where:
Base-Base interactions energy: -51.544
where: short stacking energy: -41.361
Base-Backbone interact. energy: -0.916
local terms energy: -52.195198
where:
bonds (distance) C4'-P energy: -12.871
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -3.316
tors. eta vs tors. theta energy: -10.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -75.868010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.868010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.868010 (E_RNA)
where:
Base-Base interactions energy: -33.504
where: short stacking energy: -24.441
Base-Backbone interact. energy: 0.910
local terms energy: -43.273303
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -8.993
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -6.811
tors. eta vs tors. theta energy: -4.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -78.887620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.887620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.887620 (E_RNA)
where:
Base-Base interactions energy: -32.327
where: short stacking energy: -31.721
Base-Backbone interact. energy: -0.047
local terms energy: -46.513798
where:
bonds (distance) C4'-P energy: -6.930
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -10.066
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -7.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -76.055954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.055954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.055954 (E_RNA)
where:
Base-Base interactions energy: -28.825
where: short stacking energy: -28.825
Base-Backbone interact. energy: -0.025
local terms energy: -47.205612
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -4.805
tors. eta vs tors. theta energy: -5.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -64.609051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.609051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.609051 (E_RNA)
where:
Base-Base interactions energy: -21.841
where: short stacking energy: -21.841
Base-Backbone interact. energy: -0.144
local terms energy: -42.623170
where:
bonds (distance) C4'-P energy: -9.485
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: 1.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -66.051170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.051170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.051170 (E_RNA)
where:
Base-Base interactions energy: -28.115
where: short stacking energy: -28.115
Base-Backbone interact. energy: -0.017
local terms energy: -37.919334
where:
bonds (distance) C4'-P energy: -7.751
bonds (distance) P-C4' energy: -9.976
flat angles C4'-P-C4' energy: -8.129
flat angles P-C4'-P energy: -6.119
tors. eta vs tors. theta energy: -5.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -139.318737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.318737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.318737 (E_RNA)
where:
Base-Base interactions energy: -79.930
where: short stacking energy: -43.365
Base-Backbone interact. energy: -0.333
local terms energy: -59.056262
where:
bonds (distance) C4'-P energy: -10.350
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -7.277
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: 2, replica: 4
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -132.132398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.132398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.132398 (E_RNA)
where:
Base-Base interactions energy: -75.945
where: short stacking energy: -46.379
Base-Backbone interact. energy: -0.128
local terms energy: -56.059797
where:
bonds (distance) C4'-P energy: -9.655
bonds (distance) P-C4' energy: -12.367
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -12.455
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: 7
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -99.729770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.729770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.729770 (E_RNA)
where:
Base-Base interactions energy: -41.992
where: short stacking energy: -41.992
Base-Backbone interact. energy: -0.022
local terms energy: -57.716628
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -12.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -119.193960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.193960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.193960 (E_RNA)
where:
Base-Base interactions energy: -69.672
where: short stacking energy: -48.733
Base-Backbone interact. energy: -0.001
local terms energy: -49.521096
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -7.303
flat angles P-C4'-P energy: -6.530
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: 6
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -107.614943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.614943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.614943 (E_RNA)
where:
Base-Base interactions energy: -58.762
where: short stacking energy: -29.068
Base-Backbone interact. energy: -0.293
local terms energy: -48.559426
where:
bonds (distance) C4'-P energy: -10.893
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -9.748
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -4.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -78.589365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.589365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.589365 (E_RNA)
where:
Base-Base interactions energy: -32.323
where: short stacking energy: -32.323
Base-Backbone interact. energy: -0.000
local terms energy: -46.266520
where:
bonds (distance) C4'-P energy: -9.347
bonds (distance) P-C4' energy: -10.948
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -6.766
tors. eta vs tors. theta energy: -7.033
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: 9
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -76.461269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.461269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.461269 (E_RNA)
where:
Base-Base interactions energy: -33.411
where: short stacking energy: -33.411
Base-Backbone interact. energy: -0.138
local terms energy: -42.911972
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -8.036
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -4.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -72.352166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.352166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.352166 (E_RNA)
where:
Base-Base interactions energy: -27.392
where: short stacking energy: -18.393
Base-Backbone interact. energy: -0.096
local terms energy: -44.864136
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -10.365
flat angles P-C4'-P energy: -4.901
tors. eta vs tors. theta energy: -5.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -70.516423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.516423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.516423 (E_RNA)
where:
Base-Base interactions energy: -29.471
where: short stacking energy: -29.322
Base-Backbone interact. energy: -0.019
local terms energy: -41.026120
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -9.123
flat angles C4'-P-C4' energy: -10.533
flat angles P-C4'-P energy: -4.642
tors. eta vs tors. theta energy: -4.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -60.095958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.095958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.095958 (E_RNA)
where:
Base-Base interactions energy: -19.149
where: short stacking energy: -19.149
Base-Backbone interact. energy: -0.106
local terms energy: -40.840711
where:
bonds (distance) C4'-P energy: -7.167
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -9.039
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -3.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -133.332583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.332583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.332583 (E_RNA)
where:
Base-Base interactions energy: -77.909
where: short stacking energy: -43.321
Base-Backbone interact. energy: -0.054
local terms energy: -55.369599
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -8.992
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: 2, replica: 10
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -130.749584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.749584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.749584 (E_RNA)
where:
Base-Base interactions energy: -78.853
where: short stacking energy: -51.152
Base-Backbone interact. energy: -0.018
local terms energy: -51.877816
where:
bonds (distance) C4'-P energy: -9.700
bonds (distance) P-C4' energy: -7.773
flat angles C4'-P-C4' energy: -10.933
flat angles P-C4'-P energy: -10.905
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: 3, replica: 5
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -129.414589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.414589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.414589 (E_RNA)
where:
Base-Base interactions energy: -71.998
where: short stacking energy: -42.269
Base-Backbone interact. energy: -0.002
local terms energy: -57.415204
where:
bonds (distance) C4'-P energy: -13.683
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -10.784
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -10.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -89.048134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.048134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.048134 (E_RNA)
where:
Base-Base interactions energy: -41.457
where: short stacking energy: -29.957
Base-Backbone interact. energy: -0.002
local terms energy: -47.588990
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -9.345
flat angles C4'-P-C4' energy: -10.816
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -6.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -78.932010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.932010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.932010 (E_RNA)
where:
Base-Base interactions energy: -27.506
where: short stacking energy: -27.506
Base-Backbone interact. energy: -0.186
local terms energy: -51.240419
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -7.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -89.682875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.682875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.682875 (E_RNA)
where:
Base-Base interactions energy: -37.915
where: short stacking energy: -31.415
Base-Backbone interact. energy: -0.105
local terms energy: -51.662942
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -6.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -77.865787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.865787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.865787 (E_RNA)
where:
Base-Base interactions energy: -35.013
where: short stacking energy: -30.779
Base-Backbone interact. energy: 0.671
local terms energy: -43.524242
where:
bonds (distance) C4'-P energy: -9.249
bonds (distance) P-C4' energy: -8.703
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -5.785
tors. eta vs tors. theta energy: -5.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -66.733801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.733801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.733801 (E_RNA)
where:
Base-Base interactions energy: -23.480
where: short stacking energy: -23.480
Base-Backbone interact. energy: -0.085
local terms energy: -43.168345
where:
bonds (distance) C4'-P energy: -9.672
bonds (distance) P-C4' energy: -12.322
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -6.442
tors. eta vs tors. theta energy: -4.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -69.402470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.402470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.402470 (E_RNA)
where:
Base-Base interactions energy: -36.037
where: short stacking energy: -16.066
Base-Backbone interact. energy: -0.038
local terms energy: -33.326935
where:
bonds (distance) C4'-P energy: -8.690
bonds (distance) P-C4' energy: -10.569
flat angles C4'-P-C4' energy: -5.095
flat angles P-C4'-P energy: -6.621
tors. eta vs tors. theta energy: -2.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -63.971811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.971811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.971811 (E_RNA)
where:
Base-Base interactions energy: -23.521
where: short stacking energy: -22.245
Base-Backbone interact. energy: -0.054
local terms energy: -40.397285
where:
bonds (distance) C4'-P energy: -10.603
bonds (distance) P-C4' energy: -11.207
flat angles C4'-P-C4' energy: -6.168
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -5.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -144.642600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.642600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.642600 (E_RNA)
where:
Base-Base interactions energy: -92.664
where: short stacking energy: -53.078
Base-Backbone interact. energy: -0.005
local terms energy: -51.974030
where:
bonds (distance) C4'-P energy: -10.846
bonds (distance) P-C4' energy: -11.101
flat angles C4'-P-C4' energy: -10.837
flat angles P-C4'-P energy: -6.017
tors. eta vs tors. theta energy: -13.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -121.478467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.478467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.478467 (E_RNA)
where:
Base-Base interactions energy: -70.198
where: short stacking energy: -42.346
Base-Backbone interact. energy: -0.049
local terms energy: -51.230965
where:
bonds (distance) C4'-P energy: -8.234
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -10.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -120.194278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.194278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.194278 (E_RNA)
where:
Base-Base interactions energy: -63.988
where: short stacking energy: -41.496
Base-Backbone interact. energy: -0.019
local terms energy: -56.186691
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -11.810
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -10.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -86.166060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.166060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.166060 (E_RNA)
where:
Base-Base interactions energy: -42.417
where: short stacking energy: -42.417
Base-Backbone interact. energy: -0.160
local terms energy: -43.588614
where:
bonds (distance) C4'-P energy: -6.313
bonds (distance) P-C4' energy: -9.063
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -6.829
tors. eta vs tors. theta energy: -8.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -80.083119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.083119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.083119 (E_RNA)
where:
Base-Base interactions energy: -34.176
where: short stacking energy: -27.410
Base-Backbone interact. energy: -0.038
local terms energy: -45.869290
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -10.672
flat angles C4'-P-C4' energy: -8.682
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -5.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -75.109184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.109184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.109184 (E_RNA)
where:
Base-Base interactions energy: -32.859
where: short stacking energy: -17.636
Base-Backbone interact. energy: -0.051
local terms energy: -42.199424
where:
bonds (distance) C4'-P energy: -10.619
bonds (distance) P-C4' energy: -10.718
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -8.118
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: 7, replica: 6
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -69.071128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.071128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.071128 (E_RNA)
where:
Base-Base interactions energy: -26.260
where: short stacking energy: -26.260
Base-Backbone interact. energy: 0.915
local terms energy: -43.725594
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -10.468
flat angles C4'-P-C4' energy: -9.652
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -3.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -91.659528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.659528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.659528 (E_RNA)
where:
Base-Base interactions energy: -43.633
where: short stacking energy: -28.642
Base-Backbone interact. energy: -0.015
local terms energy: -48.012240
where:
bonds (distance) C4'-P energy: -10.573
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -8.998
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -7.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -70.003177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.003177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.003177 (E_RNA)
where:
Base-Base interactions energy: -23.567
where: short stacking energy: -22.662
Base-Backbone interact. energy: -0.013
local terms energy: -46.423150
where:
bonds (distance) C4'-P energy: -9.998
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -8.987
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -5.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -59.586901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.586901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.586901 (E_RNA)
where:
Base-Base interactions energy: -17.066
where: short stacking energy: -17.066
Base-Backbone interact. energy: -0.115
local terms energy: -42.405729
where:
bonds (distance) C4'-P energy: -8.674
bonds (distance) P-C4' energy: -11.399
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -8.920
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: 4
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -142.420009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.420009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.420009 (E_RNA)
where:
Base-Base interactions energy: -82.822
where: short stacking energy: -47.098
Base-Backbone interact. energy: -0.013
local terms energy: -59.585469
where:
bonds (distance) C4'-P energy: -10.272
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -14.500
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: 10
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -128.976512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.976512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.976512 (E_RNA)
where:
Base-Base interactions energy: -78.628
where: short stacking energy: -43.253
Base-Backbone interact. energy: -0.014
local terms energy: -50.334251
where:
bonds (distance) C4'-P energy: -7.229
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -9.503
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: 3, replica: 5
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -140.523831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.523831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.523831 (E_RNA)
where:
Base-Base interactions energy: -81.014
where: short stacking energy: -53.738
Base-Backbone interact. energy: -0.293
local terms energy: -59.216499
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -11.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -100.740969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.740969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.740969 (E_RNA)
where:
Base-Base interactions energy: -50.595
where: short stacking energy: -47.234
Base-Backbone interact. energy: -0.001
local terms energy: -50.145397
where:
bonds (distance) C4'-P energy: -8.656
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -10.801
flat angles P-C4'-P energy: -4.746
tors. eta vs tors. theta energy: -12.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -91.177587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.177587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.177587 (E_RNA)
where:
Base-Base interactions energy: -45.023
where: short stacking energy: -36.533
Base-Backbone interact. energy: -0.039
local terms energy: -46.115433
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -9.299
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -5.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -71.726446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.726446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.726446 (E_RNA)
where:
Base-Base interactions energy: -24.503
where: short stacking energy: -23.422
Base-Backbone interact. energy: 0.014
local terms energy: -47.237075
where:
bonds (distance) C4'-P energy: -8.772
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -3.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -74.807640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.807640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.807640 (E_RNA)
where:
Base-Base interactions energy: -31.521
where: short stacking energy: -28.563
Base-Backbone interact. energy: -0.118
local terms energy: -43.168608
where:
bonds (distance) C4'-P energy: -7.477
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -10.220
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -4.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -71.638693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.638693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.638693 (E_RNA)
where:
Base-Base interactions energy: -24.307
where: short stacking energy: -24.307
Base-Backbone interact. energy: 0.263
local terms energy: -47.595337
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -10.279
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -4.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -63.739891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.739891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.739891 (E_RNA)
where:
Base-Base interactions energy: -28.541
where: short stacking energy: -28.541
Base-Backbone interact. energy: 0.791
local terms energy: -35.990032
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -7.603
flat angles C4'-P-C4' energy: -7.331
flat angles P-C4'-P energy: -1.041
tors. eta vs tors. theta energy: -6.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -68.592177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.592177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.592177 (E_RNA)
where:
Base-Base interactions energy: -29.945
where: short stacking energy: -29.945
Base-Backbone interact. energy: -0.079
local terms energy: -38.567974
where:
bonds (distance) C4'-P energy: -9.320
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -5.990
flat angles P-C4'-P energy: -4.609
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: 1, replica: 4
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -150.988819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.988819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.988819 (E_RNA)
where:
Base-Base interactions energy: -91.790
where: short stacking energy: -57.574
Base-Backbone interact. energy: 1.007
local terms energy: -60.206072
where:
bonds (distance) C4'-P energy: -11.517
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -11.337
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -16.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -132.267701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.267701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.267701 (E_RNA)
where:
Base-Base interactions energy: -75.016
where: short stacking energy: -43.726
Base-Backbone interact. energy: -0.049
local terms energy: -57.203299
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -7.250
tors. eta vs tors. theta energy: -10.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -133.697057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.697057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.697057 (E_RNA)
where:
Base-Base interactions energy: -81.994
where: short stacking energy: -43.023
Base-Backbone interact. energy: -0.002
local terms energy: -51.700616
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -9.815
flat angles C4'-P-C4' energy: -8.817
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -11.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -116.063706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.063706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.063706 (E_RNA)
where:
Base-Base interactions energy: -64.889
where: short stacking energy: -37.615
Base-Backbone interact. energy: -0.078
local terms energy: -51.096633
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -9.814
flat angles P-C4'-P energy: -4.186
tors. eta vs tors. theta energy: -9.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -79.167838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.167838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.167838 (E_RNA)
where:
Base-Base interactions energy: -35.098
where: short stacking energy: -35.098
Base-Backbone interact. energy: -0.040
local terms energy: -44.029251
where:
bonds (distance) C4'-P energy: -6.941
bonds (distance) P-C4' energy: -10.690
flat angles C4'-P-C4' energy: -11.884
flat angles P-C4'-P energy: -9.288
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: 6, replica: 2
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -74.039668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.039668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.039668 (E_RNA)
where:
Base-Base interactions energy: -28.979
where: short stacking energy: -26.722
Base-Backbone interact. energy: -0.098
local terms energy: -44.962711
where:
bonds (distance) C4'-P energy: -9.662
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -5.111
tors. eta vs tors. theta energy: -5.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -72.937429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.937429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.937429 (E_RNA)
where:
Base-Base interactions energy: -30.411
where: short stacking energy: -30.259
Base-Backbone interact. energy: -0.006
local terms energy: -42.520273
where:
bonds (distance) C4'-P energy: -6.708
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -10.869
flat angles P-C4'-P energy: -7.256
tors. eta vs tors. theta energy: -6.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -75.863822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.863822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.863822 (E_RNA)
where:
Base-Base interactions energy: -31.147
where: short stacking energy: -31.147
Base-Backbone interact. energy: -0.094
local terms energy: -44.622992
where:
bonds (distance) C4'-P energy: -8.387
bonds (distance) P-C4' energy: -10.083
flat angles C4'-P-C4' energy: -11.607
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -7.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -56.860930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.860930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.860930 (E_RNA)
where:
Base-Base interactions energy: -14.138
where: short stacking energy: -13.475
Base-Backbone interact. energy: -0.119
local terms energy: -42.603789
where:
bonds (distance) C4'-P energy: -10.893
bonds (distance) P-C4' energy: -10.702
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -6.050
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: 10, replica: 3
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -62.671887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.671887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.671887 (E_RNA)
where:
Base-Base interactions energy: -18.680
where: short stacking energy: -18.680
Base-Backbone interact. energy: -0.097
local terms energy: -43.894967
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -3.401
tors. eta vs tors. theta energy: -5.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -143.273711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.273711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.273711 (E_RNA)
where:
Base-Base interactions energy: -77.737
where: short stacking energy: -47.153
Base-Backbone interact. energy: -0.011
local terms energy: -65.525806
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -10.848
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: 2, replica: 4
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -137.512091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.512091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.512091 (E_RNA)
where:
Base-Base interactions energy: -85.531
where: short stacking energy: -43.423
Base-Backbone interact. energy: -0.009
local terms energy: -51.972626
where:
bonds (distance) C4'-P energy: -7.891
bonds (distance) P-C4' energy: -10.785
flat angles C4'-P-C4' energy: -11.337
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -13.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -126.211245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.211245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.211245 (E_RNA)
where:
Base-Base interactions energy: -70.231
where: short stacking energy: -42.403
Base-Backbone interact. energy: -0.041
local terms energy: -55.939774
where:
bonds (distance) C4'-P energy: -8.019
bonds (distance) P-C4' energy: -10.013
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -15.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -124.567411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.567411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.567411 (E_RNA)
where:
Base-Base interactions energy: -75.853
where: short stacking energy: -43.574
Base-Backbone interact. energy: -0.068
local terms energy: -48.647084
where:
bonds (distance) C4'-P energy: -5.795
bonds (distance) P-C4' energy: -11.240
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -5.888
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: 5, replica: 7
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -83.212404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.212404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.212404 (E_RNA)
where:
Base-Base interactions energy: -30.529
where: short stacking energy: -30.529
Base-Backbone interact. energy: -0.069
local terms energy: -52.614698
where:
bonds (distance) C4'-P energy: -10.094
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -10.167
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -11.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -78.756882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.756882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.756882 (E_RNA)
where:
Base-Base interactions energy: -31.570
where: short stacking energy: -31.570
Base-Backbone interact. energy: -0.004
local terms energy: -47.182359
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -9.144
flat angles C4'-P-C4' energy: -9.777
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -8.944
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: 7, replica: 9
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -93.561145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.561145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.561145 (E_RNA)
where:
Base-Base interactions energy: -53.804
where: short stacking energy: -39.261
Base-Backbone interact. energy: -0.000
local terms energy: -39.756484
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -4.929
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -2.722
tors. eta vs tors. theta energy: -7.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -102.797842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.797842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.797842 (E_RNA)
where:
Base-Base interactions energy: -58.179
where: short stacking energy: -30.785
Base-Backbone interact. energy: -0.029
local terms energy: -44.590035
where:
bonds (distance) C4'-P energy: -10.324
bonds (distance) P-C4' energy: -11.207
flat angles C4'-P-C4' energy: -10.286
flat angles P-C4'-P energy: -4.115
tors. eta vs tors. theta energy: -8.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -64.164264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.164264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.164264 (E_RNA)
where:
Base-Base interactions energy: -25.426
where: short stacking energy: -25.426
Base-Backbone interact. energy: -0.094
local terms energy: -38.644691
where:
bonds (distance) C4'-P energy: -9.593
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -9.813
flat angles P-C4'-P energy: -4.858
tors. eta vs tors. theta energy: -2.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -64.066343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.066343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.066343 (E_RNA)
where:
Base-Base interactions energy: -21.240
where: short stacking energy: -21.240
Base-Backbone interact. energy: -0.090
local terms energy: -42.736943
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -8.019
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -2.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -143.056625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.056625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.056625 (E_RNA)
where:
Base-Base interactions energy: -85.955
where: short stacking energy: -52.113
Base-Backbone interact. energy: -0.110
local terms energy: -56.991181
where:
bonds (distance) C4'-P energy: -9.678
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -10.821
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -15.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -132.978185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.978185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.978185 (E_RNA)
where:
Base-Base interactions energy: -78.323
where: short stacking energy: -43.110
Base-Backbone interact. energy: -0.004
local terms energy: -54.651150
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -10.489
flat angles P-C4'-P energy: -8.762
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: 3, replica: 4
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -129.519843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.519843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.519843 (E_RNA)
where:
Base-Base interactions energy: -74.633
where: short stacking energy: -41.838
Base-Backbone interact. energy: -0.005
local terms energy: -54.881729
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -11.481
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -10.475
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: 10
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -128.757527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.757527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.757527 (E_RNA)
where:
Base-Base interactions energy: -81.496
where: short stacking energy: -47.937
Base-Backbone interact. energy: -0.012
local terms energy: -47.250111
where:
bonds (distance) C4'-P energy: -9.796
bonds (distance) P-C4' energy: -9.393
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -9.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -70.824842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.824842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.824842 (E_RNA)
where:
Base-Base interactions energy: -20.725
where: short stacking energy: -20.725
Base-Backbone interact. energy: -0.066
local terms energy: -50.034126
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -10.878
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -2.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -82.024450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.024450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.024450 (E_RNA)
where:
Base-Base interactions energy: -39.931
where: short stacking energy: -39.931
Base-Backbone interact. energy: -0.224
local terms energy: -41.869174
where:
bonds (distance) C4'-P energy: -9.058
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -10.655
flat angles P-C4'-P energy: -2.763
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: 7, replica: 9
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -69.231524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.231524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.231524 (E_RNA)
where:
Base-Base interactions energy: -27.479
where: short stacking energy: -27.479
Base-Backbone interact. energy: -0.004
local terms energy: -41.748826
where:
bonds (distance) C4'-P energy: -10.014
bonds (distance) P-C4' energy: -7.553
flat angles C4'-P-C4' energy: -7.204
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -7.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -72.899709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.899709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.899709 (E_RNA)
where:
Base-Base interactions energy: -23.923
where: short stacking energy: -23.923
Base-Backbone interact. energy: -0.146
local terms energy: -48.830688
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -4.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -105.021001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.021001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.021001 (E_RNA)
where:
Base-Base interactions energy: -62.878
where: short stacking energy: -38.432
Base-Backbone interact. energy: 0.284
local terms energy: -42.426990
where:
bonds (distance) C4'-P energy: -6.679
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -5.972
tors. eta vs tors. theta energy: -7.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -64.839099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.839099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.839099 (E_RNA)
where:
Base-Base interactions energy: -24.845
where: short stacking energy: -24.845
Base-Backbone interact. energy: -0.000
local terms energy: -39.994041
where:
bonds (distance) C4'-P energy: -10.718
bonds (distance) P-C4' energy: -6.623
flat angles C4'-P-C4' energy: -8.099
flat angles P-C4'-P energy: -3.887
tors. eta vs tors. theta energy: -10.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -141.819442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.819442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.819442 (E_RNA)
where:
Base-Base interactions energy: -83.218
where: short stacking energy: -46.615
Base-Backbone interact. energy: -0.037
local terms energy: -58.565035
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -13.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -137.308119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.308119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.308119 (E_RNA)
where:
Base-Base interactions energy: -82.495
where: short stacking energy: -49.776
Base-Backbone interact. energy: -0.190
local terms energy: -54.623835
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -11.690
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: 3, replica: 4
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -125.324203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.324203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.324203 (E_RNA)
where:
Base-Base interactions energy: -71.058
where: short stacking energy: -42.842
Base-Backbone interact. energy: 0.287
local terms energy: -54.553368
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -5.904
flat angles P-C4'-P energy: -6.804
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: 10
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -129.578689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.578689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.578689 (E_RNA)
where:
Base-Base interactions energy: -70.733
where: short stacking energy: -37.479
Base-Backbone interact. energy: -0.326
local terms energy: -58.520083
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -12.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -79.784527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.784527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.784527 (E_RNA)
where:
Base-Base interactions energy: -33.230
where: short stacking energy: -31.778
Base-Backbone interact. energy: -0.003
local terms energy: -46.551504
where:
bonds (distance) C4'-P energy: -9.103
bonds (distance) P-C4' energy: -9.900
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -8.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -82.431496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.431496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.431496 (E_RNA)
where:
Base-Base interactions energy: -36.891
where: short stacking energy: -36.891
Base-Backbone interact. energy: -0.000
local terms energy: -45.540873
where:
bonds (distance) C4'-P energy: -9.523
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -5.467
flat angles P-C4'-P energy: -8.129
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: 7, replica: 6
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -69.118831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.118831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.118831 (E_RNA)
where:
Base-Base interactions energy: -27.899
where: short stacking energy: -26.013
Base-Backbone interact. energy: 1.883
local terms energy: -43.102989
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -10.224
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -5.306
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: 8, replica: 9
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -70.506715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.506715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.506715 (E_RNA)
where:
Base-Base interactions energy: -30.715
where: short stacking energy: -30.715
Base-Backbone interact. energy: -0.090
local terms energy: -39.701041
where:
bonds (distance) C4'-P energy: -6.608
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -11.854
flat angles P-C4'-P energy: -3.186
tors. eta vs tors. theta energy: -6.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -73.782309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.782309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.782309 (E_RNA)
where:
Base-Base interactions energy: -28.541
where: short stacking energy: -25.472
Base-Backbone interact. energy: -0.122
local terms energy: -45.119109
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -9.185
flat angles P-C4'-P energy: -6.468
tors. eta vs tors. theta energy: -4.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -61.162240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.162240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.162240 (E_RNA)
where:
Base-Base interactions energy: -25.944
where: short stacking energy: -25.944
Base-Backbone interact. energy: -0.170
local terms energy: -35.048606
where:
bonds (distance) C4'-P energy: -7.118
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -6.874
flat angles P-C4'-P energy: -3.157
tors. eta vs tors. theta energy: -5.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -147.357168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.357168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.357168 (E_RNA)
where:
Base-Base interactions energy: -93.873
where: short stacking energy: -54.911
Base-Backbone interact. energy: -0.087
local terms energy: -53.397116
where:
bonds (distance) C4'-P energy: -10.449
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -11.188
flat angles P-C4'-P energy: -5.734
tors. eta vs tors. theta energy: -14.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -128.186416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.186416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.186416 (E_RNA)
where:
Base-Base interactions energy: -75.299
where: short stacking energy: -44.574
Base-Backbone interact. energy: -0.004
local terms energy: -52.883365
where:
bonds (distance) C4'-P energy: -9.804
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -6.125
tors. eta vs tors. theta energy: -10.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -132.302020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.302020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.302020 (E_RNA)
where:
Base-Base interactions energy: -79.218
where: short stacking energy: -45.588
Base-Backbone interact. energy: -0.004
local terms energy: -53.080139
where:
bonds (distance) C4'-P energy: -9.588
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -10.233
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: 10
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -122.593400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.593400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.593400 (E_RNA)
where:
Base-Base interactions energy: -70.822
where: short stacking energy: -39.682
Base-Backbone interact. energy: -0.076
local terms energy: -51.696023
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -10.320
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -6.170
tors. eta vs tors. theta energy: -10.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -90.343607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.343607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.343607 (E_RNA)
where:
Base-Base interactions energy: -39.035
where: short stacking energy: -39.035
Base-Backbone interact. energy: -0.132
local terms energy: -51.176385
where:
bonds (distance) C4'-P energy: -10.999
bonds (distance) P-C4' energy: -8.253
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -10.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -81.621830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.621830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.621830 (E_RNA)
where:
Base-Base interactions energy: -34.759
where: short stacking energy: -34.759
Base-Backbone interact. energy: -0.078
local terms energy: -46.784938
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -12.227
flat angles C4'-P-C4' energy: -8.459
flat angles P-C4'-P energy: -7.423
tors. eta vs tors. theta energy: -7.017
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: 321
Temperature: 1.200000
Total energy: -73.615131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.615131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.615131 (E_RNA)
where:
Base-Base interactions energy: -26.320
where: short stacking energy: -24.175
Base-Backbone interact. energy: -0.078
local terms energy: -47.217535
where:
bonds (distance) C4'-P energy: -10.143
bonds (distance) P-C4' energy: -13.404
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -3.635
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: 321
Temperature: 1.250000
Total energy: -66.230105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.230105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.230105 (E_RNA)
where:
Base-Base interactions energy: -28.780
where: short stacking energy: -28.780
Base-Backbone interact. energy: -0.163
local terms energy: -37.286854
where:
bonds (distance) C4'-P energy: -6.169
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -9.864
flat angles P-C4'-P energy: -5.357
tors. eta vs tors. theta energy: -4.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -62.150769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.150769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.150769 (E_RNA)
where:
Base-Base interactions energy: -23.622
where: short stacking energy: -23.622
Base-Backbone interact. energy: -0.603
local terms energy: -37.926113
where:
bonds (distance) C4'-P energy: -7.978
bonds (distance) P-C4' energy: -6.269
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -4.911
tors. eta vs tors. theta energy: -5.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -57.046033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.046033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.046033 (E_RNA)
where:
Base-Base interactions energy: -15.879
where: short stacking energy: -15.979
Base-Backbone interact. energy: 1.293
local terms energy: -42.459952
where:
bonds (distance) C4'-P energy: -10.643
bonds (distance) P-C4' energy: -9.898
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -6.281
tors. eta vs tors. theta energy: -4.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -125.836135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.836135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.836135 (E_RNA)
where:
Base-Base interactions energy: -68.108
where: short stacking energy: -43.095
Base-Backbone interact. energy: -0.031
local terms energy: -57.696586
where:
bonds (distance) C4'-P energy: -10.354
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -13.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -132.582866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.582866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.582866 (E_RNA)
where:
Base-Base interactions energy: -75.764
where: short stacking energy: -42.843
Base-Backbone interact. energy: -0.055
local terms energy: -56.763912
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -11.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -121.758831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.758831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.758831 (E_RNA)
where:
Base-Base interactions energy: -66.529
where: short stacking energy: -43.400
Base-Backbone interact. energy: -0.036
local terms energy: -55.193462
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -8.670
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -11.770
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: 322
Temperature: 1.050000
Total energy: -125.450616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.450616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.450616 (E_RNA)
where:
Base-Base interactions energy: -76.847
where: short stacking energy: -49.401
Base-Backbone interact. energy: -0.341
local terms energy: -48.262331
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -6.486
flat angles C4'-P-C4' energy: -9.058
flat angles P-C4'-P energy: -5.228
tors. eta vs tors. theta energy: -14.754
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: 6
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -88.022121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.022121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.022121 (E_RNA)
where:
Base-Base interactions energy: -34.224
where: short stacking energy: -34.224
Base-Backbone interact. energy: -0.025
local terms energy: -53.772652
where:
bonds (distance) C4'-P energy: -9.382
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -11.387
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -11.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -75.419156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.419156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.419156 (E_RNA)
where:
Base-Base interactions energy: -32.669
where: short stacking energy: -32.669
Base-Backbone interact. energy: -0.010
local terms energy: -42.739662
where:
bonds (distance) C4'-P energy: -9.499
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -10.654
flat angles P-C4'-P energy: -2.569
tors. eta vs tors. theta energy: -7.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -68.814997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.814997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.814997 (E_RNA)
where:
Base-Base interactions energy: -31.750
where: short stacking energy: -31.750
Base-Backbone interact. energy: 0.463
local terms energy: -37.528275
where:
bonds (distance) C4'-P energy: -6.602
bonds (distance) P-C4' energy: -9.295
flat angles C4'-P-C4' energy: -5.579
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -6.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -74.733596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.733596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.733596 (E_RNA)
where:
Base-Base interactions energy: -40.874
where: short stacking energy: -19.423
Base-Backbone interact. energy: -0.248
local terms energy: -33.611366
where:
bonds (distance) C4'-P energy: -4.110
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -5.189
tors. eta vs tors. theta energy: -0.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -75.320101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.320101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.320101 (E_RNA)
where:
Base-Base interactions energy: -34.217
where: short stacking energy: -25.296
Base-Backbone interact. energy: -0.322
local terms energy: -40.781227
where:
bonds (distance) C4'-P energy: -7.990
bonds (distance) P-C4' energy: -9.767
flat angles C4'-P-C4' energy: -8.641
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -6.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -66.324526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.324526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.324526 (E_RNA)
where:
Base-Base interactions energy: -20.964
where: short stacking energy: -20.964
Base-Backbone interact. energy: -0.048
local terms energy: -45.312577
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -8.650
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -2.604
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: 4
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -125.244810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.244810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.244810 (E_RNA)
where:
Base-Base interactions energy: -75.184
where: short stacking energy: -39.625
Base-Backbone interact. energy: -0.045
local terms energy: -50.016246
where:
bonds (distance) C4'-P energy: -11.100
bonds (distance) P-C4' energy: -12.191
flat angles C4'-P-C4' energy: -11.210
flat angles P-C4'-P energy: -6.027
tors. eta vs tors. theta energy: -9.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -129.399234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.399234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.399234 (E_RNA)
where:
Base-Base interactions energy: -73.100
where: short stacking energy: -46.789
Base-Backbone interact. energy: -0.101
local terms energy: -56.197643
where:
bonds (distance) C4'-P energy: -10.598
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -8.490
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: 3, replica: 10
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -125.095038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.095038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.095038 (E_RNA)
where:
Base-Base interactions energy: -67.792
where: short stacking energy: -40.026
Base-Backbone interact. energy: -0.301
local terms energy: -57.002407
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -5.815
tors. eta vs tors. theta energy: -11.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -79.679462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.679462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.679462 (E_RNA)
where:
Base-Base interactions energy: -35.154
where: short stacking energy: -30.718
Base-Backbone interact. energy: 0.925
local terms energy: -45.450816
where:
bonds (distance) C4'-P energy: -9.712
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -5.588
tors. eta vs tors. theta energy: -6.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -77.312082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.312082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.312082 (E_RNA)
where:
Base-Base interactions energy: -30.177
where: short stacking energy: -30.177
Base-Backbone interact. energy: -0.001
local terms energy: -47.134028
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -3.058
tors. eta vs tors. theta energy: -5.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -83.060991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.060991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.060991 (E_RNA)
where:
Base-Base interactions energy: -40.003
where: short stacking energy: -29.825
Base-Backbone interact. energy: -0.139
local terms energy: -42.918355
where:
bonds (distance) C4'-P energy: -8.288
bonds (distance) P-C4' energy: -10.474
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: -7.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -81.652607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.652607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.652607 (E_RNA)
where:
Base-Base interactions energy: -36.493
where: short stacking energy: -36.493
Base-Backbone interact. energy: -0.214
local terms energy: -44.946101
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -8.104
flat angles P-C4'-P energy: -4.040
tors. eta vs tors. theta energy: -8.997
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: 8
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -75.478382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.478382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.478382 (E_RNA)
where:
Base-Base interactions energy: -33.863
where: short stacking energy: -22.708
Base-Backbone interact. energy: -0.408
local terms energy: -41.207127
where:
bonds (distance) C4'-P energy: -6.525
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -9.832
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -1.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -65.026419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.026419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.026419 (E_RNA)
where:
Base-Base interactions energy: -28.029
where: short stacking energy: -22.392
Base-Backbone interact. energy: -0.273
local terms energy: -36.724252
where:
bonds (distance) C4'-P energy: -7.377
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -4.162
tors. eta vs tors. theta energy: -0.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -56.225350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.225350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.225350 (E_RNA)
where:
Base-Base interactions energy: -21.605
where: short stacking energy: -15.191
Base-Backbone interact. energy: -0.194
local terms energy: -34.426430
where:
bonds (distance) C4'-P energy: -8.296
bonds (distance) P-C4' energy: -10.448
flat angles C4'-P-C4' energy: -7.527
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: 1.913
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: 1, replica: 1
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -138.506101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.506101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.506101 (E_RNA)
where:
Base-Base interactions energy: -82.465
where: short stacking energy: -45.670
Base-Backbone interact. energy: -0.004
local terms energy: -56.037187
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -9.244
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -13.492
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: 2, replica: 4
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -126.492260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.492260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.492260 (E_RNA)
where:
Base-Base interactions energy: -72.201
where: short stacking energy: -40.589
Base-Backbone interact. energy: -0.332
local terms energy: -53.958409
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -11.540
flat angles C4'-P-C4' energy: -10.301
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -12.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -106.758274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.758274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.758274 (E_RNA)
where:
Base-Base interactions energy: -54.074
where: short stacking energy: -41.860
Base-Backbone interact. energy: -0.126
local terms energy: -52.557862
where:
bonds (distance) C4'-P energy: -7.866
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -10.514
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: 10
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -134.393521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.393521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.393521 (E_RNA)
where:
Base-Base interactions energy: -79.160
where: short stacking energy: -50.621
Base-Backbone interact. energy: -0.000
local terms energy: -55.233154
where:
bonds (distance) C4'-P energy: -7.763
bonds (distance) P-C4' energy: -10.172
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -15.827
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: 5, replica: 3
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -80.705525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.705525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.705525 (E_RNA)
where:
Base-Base interactions energy: -37.143
where: short stacking energy: -29.496
Base-Backbone interact. energy: -0.068
local terms energy: -43.494540
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -6.983
flat angles P-C4'-P energy: -3.006
tors. eta vs tors. theta energy: -7.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -80.779370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.779370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.779370 (E_RNA)
where:
Base-Base interactions energy: -34.091
where: short stacking energy: -34.091
Base-Backbone interact. energy: -0.091
local terms energy: -46.596943
where:
bonds (distance) C4'-P energy: -11.235
bonds (distance) P-C4' energy: -6.639
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -7.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -77.307185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.307185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.307185 (E_RNA)
where:
Base-Base interactions energy: -34.689
where: short stacking energy: -34.295
Base-Backbone interact. energy: -0.142
local terms energy: -42.475840
where:
bonds (distance) C4'-P energy: -3.804
bonds (distance) P-C4' energy: -9.532
flat angles C4'-P-C4' energy: -11.108
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -7.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -71.118037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.118037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.118037 (E_RNA)
where:
Base-Base interactions energy: -25.587
where: short stacking energy: -23.471
Base-Backbone interact. energy: -0.222
local terms energy: -45.309414
where:
bonds (distance) C4'-P energy: -7.150
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -7.985
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: 9, replica: 9
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -76.759566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.759566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.759566 (E_RNA)
where:
Base-Base interactions energy: -27.868
where: short stacking energy: -27.868
Base-Backbone interact. energy: -0.018
local terms energy: -48.873539
where:
bonds (distance) C4'-P energy: -9.079
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: -8.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -67.878938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.878938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.878938 (E_RNA)
where:
Base-Base interactions energy: -24.292
where: short stacking energy: -23.180
Base-Backbone interact. energy: -0.025
local terms energy: -43.561517
where:
bonds (distance) C4'-P energy: -9.154
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -3.742
tors. eta vs tors. theta energy: -6.912
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: 1
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -137.180848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.180848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.180848 (E_RNA)
where:
Base-Base interactions energy: -76.274
where: short stacking energy: -46.464
Base-Backbone interact. energy: -0.003
local terms energy: -60.904188
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -14.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -122.533565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.533565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.533565 (E_RNA)
where:
Base-Base interactions energy: -73.491
where: short stacking energy: -40.549
Base-Backbone interact. energy: -0.016
local terms energy: -49.026465
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -7.847
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -5.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -97.575956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.575956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.575956 (E_RNA)
where:
Base-Base interactions energy: -46.376
where: short stacking energy: -47.276
Base-Backbone interact. energy: -0.381
local terms energy: -50.819176
where:
bonds (distance) C4'-P energy: -11.256
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -10.509
flat angles P-C4'-P energy: -3.696
tors. eta vs tors. theta energy: -11.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -119.906699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.906699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.906699 (E_RNA)
where:
Base-Base interactions energy: -67.267
where: short stacking energy: -36.578
Base-Backbone interact. energy: -0.245
local terms energy: -52.394284
where:
bonds (distance) C4'-P energy: -10.777
bonds (distance) P-C4' energy: -9.681
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -6.180
tors. eta vs tors. theta energy: -12.008
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: 5, replica: 3
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -78.067889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.067889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.067889 (E_RNA)
where:
Base-Base interactions energy: -29.487
where: short stacking energy: -29.487
Base-Backbone interact. energy: -0.005
local terms energy: -48.576203
where:
bonds (distance) C4'-P energy: -8.537
bonds (distance) P-C4' energy: -12.015
flat angles C4'-P-C4' energy: -11.180
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -8.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -70.228335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.228335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.228335 (E_RNA)
where:
Base-Base interactions energy: -23.209
where: short stacking energy: -23.207
Base-Backbone interact. energy: -0.098
local terms energy: -46.921209
where:
bonds (distance) C4'-P energy: -9.655
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -3.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -83.297314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.297314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.297314 (E_RNA)
where:
Base-Base interactions energy: -32.605
where: short stacking energy: -32.605
Base-Backbone interact. energy: 0.183
local terms energy: -50.875138
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -9.452
flat angles C4'-P-C4' energy: -10.851
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -11.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -78.512301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.512301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.512301 (E_RNA)
where:
Base-Base interactions energy: -45.176
where: short stacking energy: -26.998
Base-Backbone interact. energy: 0.450
local terms energy: -33.786130
where:
bonds (distance) C4'-P energy: -9.430
bonds (distance) P-C4' energy: -8.948
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -3.201
tors. eta vs tors. theta energy: -0.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -61.665305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.665305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.665305 (E_RNA)
where:
Base-Base interactions energy: -23.790
where: short stacking energy: -23.790
Base-Backbone interact. energy: -0.187
local terms energy: -37.688462
where:
bonds (distance) C4'-P energy: -11.828
bonds (distance) P-C4' energy: -8.474
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -5.563
tors. eta vs tors. theta energy: 0.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -69.492358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.492358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.492358 (E_RNA)
where:
Base-Base interactions energy: -28.116
where: short stacking energy: -27.751
Base-Backbone interact. energy: -0.014
local terms energy: -41.362379
where:
bonds (distance) C4'-P energy: -11.119
bonds (distance) P-C4' energy: -11.168
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -3.895
tors. eta vs tors. theta energy: -3.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -146.402081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.402081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.402081 (E_RNA)
where:
Base-Base interactions energy: -87.867
where: short stacking energy: -51.580
Base-Backbone interact. energy: 0.580
local terms energy: -59.115378
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -10.872
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -14.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -124.343656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.343656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.343656 (E_RNA)
where:
Base-Base interactions energy: -72.656
where: short stacking energy: -39.710
Base-Backbone interact. energy: -0.003
local terms energy: -51.685089
where:
bonds (distance) C4'-P energy: -9.593
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -9.979
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -10.956
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: 3, replica: 10
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -115.330656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.330656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.330656 (E_RNA)
where:
Base-Base interactions energy: -63.589
where: short stacking energy: -34.665
Base-Backbone interact. energy: -0.518
local terms energy: -51.223253
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -10.207
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -8.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -87.193787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.193787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.193787 (E_RNA)
where:
Base-Base interactions energy: -37.676
where: short stacking energy: -35.239
Base-Backbone interact. energy: -0.020
local terms energy: -49.497837
where:
bonds (distance) C4'-P energy: -5.411
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -7.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -106.526443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.526443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.526443 (E_RNA)
where:
Base-Base interactions energy: -55.742
where: short stacking energy: -39.201
Base-Backbone interact. energy: -0.109
local terms energy: -50.675350
where:
bonds (distance) C4'-P energy: -10.922
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -10.263
flat angles P-C4'-P energy: -6.293
tors. eta vs tors. theta energy: -10.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -75.070076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.070076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.070076 (E_RNA)
where:
Base-Base interactions energy: -28.852
where: short stacking energy: -28.852
Base-Backbone interact. energy: -0.105
local terms energy: -46.112169
where:
bonds (distance) C4'-P energy: -9.087
bonds (distance) P-C4' energy: -10.331
flat angles C4'-P-C4' energy: -11.316
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -6.603
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: 9
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -72.208669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.208669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.208669 (E_RNA)
where:
Base-Base interactions energy: -24.273
where: short stacking energy: -24.273
Base-Backbone interact. energy: -0.102
local terms energy: -47.833086
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -6.694
flat angles P-C4'-P energy: -6.871
tors. eta vs tors. theta energy: -8.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -71.932976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.932976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.932976 (E_RNA)
where:
Base-Base interactions energy: -29.352
where: short stacking energy: -28.966
Base-Backbone interact. energy: 0.299
local terms energy: -42.879903
where:
bonds (distance) C4'-P energy: -10.201
bonds (distance) P-C4' energy: -10.327
flat angles C4'-P-C4' energy: -12.067
flat angles P-C4'-P energy: -4.106
tors. eta vs tors. theta energy: -6.180
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: 9, replica: 7
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -61.968824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.968824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.968824 (E_RNA)
where:
Base-Base interactions energy: -21.089
where: short stacking energy: -21.083
Base-Backbone interact. energy: -0.434
local terms energy: -40.445788
where:
bonds (distance) C4'-P energy: -9.101
bonds (distance) P-C4' energy: -11.163
flat angles C4'-P-C4' energy: -8.989
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -2.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -56.916880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.916880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.916880 (E_RNA)
where:
Base-Base interactions energy: -20.210
where: short stacking energy: -16.277
Base-Backbone interact. energy: -0.248
local terms energy: -36.459244
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -9.927
flat angles C4'-P-C4' energy: -10.273
flat angles P-C4'-P energy: -6.682
tors. eta vs tors. theta energy: 2.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -151.340875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.340875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.340875 (E_RNA)
where:
Base-Base interactions energy: -88.889
where: short stacking energy: -56.490
Base-Backbone interact. energy: -0.017
local terms energy: -62.434195
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: -14.921
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: 4
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -125.706449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.706449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.706449 (E_RNA)
where:
Base-Base interactions energy: -73.791
where: short stacking energy: -43.552
Base-Backbone interact. energy: -0.586
local terms energy: -51.329702
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -10.397
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -9.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -128.852642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.852642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.852642 (E_RNA)
where:
Base-Base interactions energy: -74.413
where: short stacking energy: -41.796
Base-Backbone interact. energy: -0.103
local terms energy: -54.336454
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -10.394
flat angles P-C4'-P energy: -6.558
tors. eta vs tors. theta energy: -12.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -112.022485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.022485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.022485 (E_RNA)
where:
Base-Base interactions energy: -62.226
where: short stacking energy: -33.647
Base-Backbone interact. energy: -0.094
local terms energy: -49.702173
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -9.759
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -4.479
tors. eta vs tors. theta energy: -9.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -82.641973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.641973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.641973 (E_RNA)
where:
Base-Base interactions energy: -35.395
where: short stacking energy: -34.196
Base-Backbone interact. energy: -0.096
local terms energy: -47.151391
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -7.704
tors. eta vs tors. theta energy: -4.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -75.929394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.929394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.929394 (E_RNA)
where:
Base-Base interactions energy: -29.083
where: short stacking energy: -24.197
Base-Backbone interact. energy: -0.026
local terms energy: -46.821270
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -10.390
flat angles C4'-P-C4' energy: -10.964
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -3.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -65.239855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.239855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.239855 (E_RNA)
where:
Base-Base interactions energy: -27.561
where: short stacking energy: -27.561
Base-Backbone interact. energy: -0.215
local terms energy: -37.464364
where:
bonds (distance) C4'-P energy: -10.552
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -7.955
flat angles P-C4'-P energy: -5.127
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: 8, replica: 7
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -68.349262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.349262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.349262 (E_RNA)
where:
Base-Base interactions energy: -24.099
where: short stacking energy: -24.099
Base-Backbone interact. energy: 2.541
local terms energy: -46.791254
where:
bonds (distance) C4'-P energy: -11.298
bonds (distance) P-C4' energy: -9.964
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -6.317
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: 9, replica: 8
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -65.758708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.758708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.758708 (E_RNA)
where:
Base-Base interactions energy: -26.907
where: short stacking energy: -26.907
Base-Backbone interact. energy: 0.570
local terms energy: -39.421307
where:
bonds (distance) C4'-P energy: -10.048
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -8.305
flat angles P-C4'-P energy: -1.502
tors. eta vs tors. theta energy: -7.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -65.947256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.947256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.947256 (E_RNA)
where:
Base-Base interactions energy: -28.522
where: short stacking energy: -28.522
Base-Backbone interact. energy: -0.112
local terms energy: -37.313535
where:
bonds (distance) C4'-P energy: -9.684
bonds (distance) P-C4' energy: -8.018
flat angles C4'-P-C4' energy: -10.959
flat angles P-C4'-P energy: -2.069
tors. eta vs tors. theta energy: -6.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -134.280077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.280077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.280077 (E_RNA)
where:
Base-Base interactions energy: -78.262
where: short stacking energy: -48.367
Base-Backbone interact. energy: 0.724
local terms energy: -56.741405
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -5.976
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: 2, replica: 1
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -126.553175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.553175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.553175 (E_RNA)
where:
Base-Base interactions energy: -76.191
where: short stacking energy: -40.149
Base-Backbone interact. energy: -0.038
local terms energy: -50.324879
where:
bonds (distance) C4'-P energy: -10.387
bonds (distance) P-C4' energy: -10.334
flat angles C4'-P-C4' energy: -12.059
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -9.299
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: 6
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -119.024459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.024459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.024459 (E_RNA)
where:
Base-Base interactions energy: -64.613
where: short stacking energy: -39.098
Base-Backbone interact. energy: -0.000
local terms energy: -54.411649
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -10.814
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -11.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -112.684894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.684894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.684894 (E_RNA)
where:
Base-Base interactions energy: -64.125
where: short stacking energy: -36.477
Base-Backbone interact. energy: -0.083
local terms energy: -48.477492
where:
bonds (distance) C4'-P energy: -9.668
bonds (distance) P-C4' energy: -9.712
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -8.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -76.231082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.231082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.231082 (E_RNA)
where:
Base-Base interactions energy: -31.540
where: short stacking energy: -31.540
Base-Backbone interact. energy: -0.321
local terms energy: -44.369791
where:
bonds (distance) C4'-P energy: -9.490
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -10.541
flat angles P-C4'-P energy: -6.064
tors. eta vs tors. theta energy: -5.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -89.715961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.715961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.715961 (E_RNA)
where:
Base-Base interactions energy: -46.329
where: short stacking energy: -41.695
Base-Backbone interact. energy: -0.086
local terms energy: -43.300892
where:
bonds (distance) C4'-P energy: -8.085
bonds (distance) P-C4' energy: -10.743
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -6.571
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: 328
Temperature: 1.200000
Total energy: -73.648766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.648766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.648766 (E_RNA)
where:
Base-Base interactions energy: -27.771
where: short stacking energy: -27.771
Base-Backbone interact. energy: -0.011
local terms energy: -45.866375
where:
bonds (distance) C4'-P energy: -9.923
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -6.268
tors. eta vs tors. theta energy: -4.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -64.814302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.814302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.814302 (E_RNA)
where:
Base-Base interactions energy: -20.559
where: short stacking energy: -20.559
Base-Backbone interact. energy: -0.087
local terms energy: -44.168162
where:
bonds (distance) C4'-P energy: -11.364
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -8.797
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -5.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -65.186574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.186574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.186574 (E_RNA)
where:
Base-Base interactions energy: -21.457
where: short stacking energy: -23.457
Base-Backbone interact. energy: -0.078
local terms energy: -43.651318
where:
bonds (distance) C4'-P energy: -11.596
bonds (distance) P-C4' energy: -11.438
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -4.852
tors. eta vs tors. theta energy: -3.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -69.317568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.317568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.317568 (E_RNA)
where:
Base-Base interactions energy: -26.272
where: short stacking energy: -26.123
Base-Backbone interact. energy: -0.090
local terms energy: -42.955072
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -7.741
flat angles C4'-P-C4' energy: -9.395
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -5.900
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: 4
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -119.144042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.144042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.144042 (E_RNA)
where:
Base-Base interactions energy: -64.244
where: short stacking energy: -37.645
Base-Backbone interact. energy: -0.055
local terms energy: -54.845734
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: -11.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -122.459356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.459356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.459356 (E_RNA)
where:
Base-Base interactions energy: -68.873
where: short stacking energy: -42.263
Base-Backbone interact. energy: -0.104
local terms energy: -53.482080
where:
bonds (distance) C4'-P energy: -10.441
bonds (distance) P-C4' energy: -10.887
flat angles C4'-P-C4' energy: -11.077
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -11.762
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: 6
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -88.884097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.884097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.884097 (E_RNA)
where:
Base-Base interactions energy: -36.581
where: short stacking energy: -35.128
Base-Backbone interact. energy: -0.101
local terms energy: -52.202122
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -7.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -117.231500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.231500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.231500 (E_RNA)
where:
Base-Base interactions energy: -65.890
where: short stacking energy: -40.386
Base-Backbone interact. energy: -0.057
local terms energy: -51.284650
where:
bonds (distance) C4'-P energy: -8.058
bonds (distance) P-C4' energy: -10.354
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -6.298
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: 5, replica: 9
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -100.811905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.811905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.811905 (E_RNA)
where:
Base-Base interactions energy: -45.542
where: short stacking energy: -41.505
Base-Backbone interact. energy: -0.003
local terms energy: -55.266948
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -6.436
tors. eta vs tors. theta energy: -12.833
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: 3
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -80.868102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.868102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.868102 (E_RNA)
where:
Base-Base interactions energy: -25.589
where: short stacking energy: -25.589
Base-Backbone interact. energy: -0.103
local terms energy: -55.175818
where:
bonds (distance) C4'-P energy: -11.062
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -8.960
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: 7, replica: 5
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -71.749267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.749267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.749267 (E_RNA)
where:
Base-Base interactions energy: -28.591
where: short stacking energy: -23.695
Base-Backbone interact. energy: 0.295
local terms energy: -43.454074
where:
bonds (distance) C4'-P energy: -9.295
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -9.440
flat angles P-C4'-P energy: -4.699
tors. eta vs tors. theta energy: -6.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -69.752674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.752674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.752674 (E_RNA)
where:
Base-Base interactions energy: -21.887
where: short stacking energy: -21.887
Base-Backbone interact. energy: -0.000
local terms energy: -47.865642
where:
bonds (distance) C4'-P energy: -7.420
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -7.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -65.393127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.393127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.393127 (E_RNA)
where:
Base-Base interactions energy: -21.679
where: short stacking energy: -21.679
Base-Backbone interact. energy: -0.086
local terms energy: -43.628272
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -7.145
flat angles P-C4'-P energy: -9.496
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: 329
Temperature: 1.350000
Total energy: -67.635122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.635122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.635122 (E_RNA)
where:
Base-Base interactions energy: -26.075
where: short stacking energy: -26.075
Base-Backbone interact. energy: -0.235
local terms energy: -41.325073
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -9.062
flat angles C4'-P-C4' energy: -9.091
flat angles P-C4'-P energy: -6.182
tors. eta vs tors. theta energy: -4.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -124.809094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.809094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.809094 (E_RNA)
where:
Base-Base interactions energy: -71.998
where: short stacking energy: -37.227
Base-Backbone interact. energy: -0.101
local terms energy: -52.710308
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -8.906
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -10.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -117.280079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.280079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.280079 (E_RNA)
where:
Base-Base interactions energy: -66.751
where: short stacking energy: -37.774
Base-Backbone interact. energy: 0.041
local terms energy: -50.570027
where:
bonds (distance) C4'-P energy: -9.699
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -8.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -134.271445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.271445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.271445 (E_RNA)
where:
Base-Base interactions energy: -81.081
where: short stacking energy: -49.550
Base-Backbone interact. energy: -0.006
local terms energy: -53.184352
where:
bonds (distance) C4'-P energy: -8.652
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -9.121
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -12.752
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: 6
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -91.121687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.121687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.121687 (E_RNA)
where:
Base-Base interactions energy: -38.994
where: short stacking energy: -38.994
Base-Backbone interact. energy: -0.003
local terms energy: -52.124855
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -12.721
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -5.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -78.991310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.991310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.991310 (E_RNA)
where:
Base-Base interactions energy: -30.139
where: short stacking energy: -30.139
Base-Backbone interact. energy: -0.045
local terms energy: -48.806928
where:
bonds (distance) C4'-P energy: -12.817
bonds (distance) P-C4' energy: -9.189
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -7.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -89.404964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.404964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.404964 (E_RNA)
where:
Base-Base interactions energy: -37.619
where: short stacking energy: -37.619
Base-Backbone interact. energy: -0.001
local terms energy: -51.785109
where:
bonds (distance) C4'-P energy: -9.153
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -8.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -75.005612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.005612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.005612 (E_RNA)
where:
Base-Base interactions energy: -32.282
where: short stacking energy: -32.282
Base-Backbone interact. energy: -0.039
local terms energy: -42.684645
where:
bonds (distance) C4'-P energy: -6.780
bonds (distance) P-C4' energy: -10.139
flat angles C4'-P-C4' energy: -11.212
flat angles P-C4'-P energy: -2.814
tors. eta vs tors. theta energy: -11.741
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: 330
Temperature: 1.250000
Total energy: -78.425065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.425065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.425065 (E_RNA)
where:
Base-Base interactions energy: -29.301
where: short stacking energy: -29.224
Base-Backbone interact. energy: -0.625
local terms energy: -48.499349
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -9.106
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -7.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -66.839118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.839118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.839118 (E_RNA)
where:
Base-Base interactions energy: -24.523
where: short stacking energy: -24.523
Base-Backbone interact. energy: -0.055
local terms energy: -42.260911
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -12.286
flat angles C4'-P-C4' energy: -8.706
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -2.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -64.630392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.630392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.630392 (E_RNA)
where:
Base-Base interactions energy: -20.918
where: short stacking energy: -19.410
Base-Backbone interact. energy: -0.097
local terms energy: -43.614841
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -10.802
flat angles C4'-P-C4' energy: -8.670
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -3.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -124.640909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.640909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.640909 (E_RNA)
where:
Base-Base interactions energy: -73.363
where: short stacking energy: -42.805
Base-Backbone interact. energy: -0.034
local terms energy: -51.243775
where:
bonds (distance) C4'-P energy: -9.828
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -6.544
tors. eta vs tors. theta energy: -10.553
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: 10
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -135.303730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.303730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.303730 (E_RNA)
where:
Base-Base interactions energy: -74.509
where: short stacking energy: -46.634
Base-Backbone interact. energy: -0.076
local terms energy: -60.718132
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -11.358
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -16.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -121.411723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.411723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.411723 (E_RNA)
where:
Base-Base interactions energy: -76.865
where: short stacking energy: -46.749
Base-Backbone interact. energy: -0.021
local terms energy: -44.525866
where:
bonds (distance) C4'-P energy: -3.941
bonds (distance) P-C4' energy: -9.831
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -11.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -92.433890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.433890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.433890 (E_RNA)
where:
Base-Base interactions energy: -41.181
where: short stacking energy: -40.496
Base-Backbone interact. energy: -0.087
local terms energy: -51.165484
where:
bonds (distance) C4'-P energy: -8.689
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -10.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -76.004097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.004097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.004097 (E_RNA)
where:
Base-Base interactions energy: -34.083
where: short stacking energy: -31.530
Base-Backbone interact. energy: -0.264
local terms energy: -41.657392
where:
bonds (distance) C4'-P energy: -8.298
bonds (distance) P-C4' energy: -6.992
flat angles C4'-P-C4' energy: -12.060
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -3.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -78.892577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.892577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.892577 (E_RNA)
where:
Base-Base interactions energy: -30.484
where: short stacking energy: -30.484
Base-Backbone interact. energy: -0.001
local terms energy: -48.408161
where:
bonds (distance) C4'-P energy: -9.936
bonds (distance) P-C4' energy: -11.454
flat angles C4'-P-C4' energy: -8.609
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -8.862
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: 9
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -68.681665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.681665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.681665 (E_RNA)
where:
Base-Base interactions energy: -24.722
where: short stacking energy: -24.722
Base-Backbone interact. energy: -0.193
local terms energy: -43.766405
where:
bonds (distance) C4'-P energy: -10.359
bonds (distance) P-C4' energy: -11.028
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -2.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -70.197691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.197691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.197691 (E_RNA)
where:
Base-Base interactions energy: -28.660
where: short stacking energy: -27.907
Base-Backbone interact. energy: -0.054
local terms energy: -41.484152
where:
bonds (distance) C4'-P energy: -9.580
bonds (distance) P-C4' energy: -11.017
flat angles C4'-P-C4' energy: -6.253
flat angles P-C4'-P energy: -6.850
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: 9, replica: 2
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -65.360361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.360361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.360361 (E_RNA)
where:
Base-Base interactions energy: -26.267
where: short stacking energy: -26.267
Base-Backbone interact. energy: 0.524
local terms energy: -39.617625
where:
bonds (distance) C4'-P energy: -9.641
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -10.507
flat angles P-C4'-P energy: -2.428
tors. eta vs tors. theta energy: -4.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -61.294154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.294154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.294154 (E_RNA)
where:
Base-Base interactions energy: -25.966
where: short stacking energy: -21.986
Base-Backbone interact. energy: -0.082
local terms energy: -35.246314
where:
bonds (distance) C4'-P energy: -10.951
bonds (distance) P-C4' energy: -7.627
flat angles C4'-P-C4' energy: -9.047
flat angles P-C4'-P energy: -3.334
tors. eta vs tors. theta energy: -4.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -141.459964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.459964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.459964 (E_RNA)
where:
Base-Base interactions energy: -84.766
where: short stacking energy: -52.999
Base-Backbone interact. energy: -0.044
local terms energy: -56.649889
where:
bonds (distance) C4'-P energy: -9.290
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: -15.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -125.177868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.177868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.177868 (E_RNA)
where:
Base-Base interactions energy: -78.550
where: short stacking energy: -53.259
Base-Backbone interact. energy: -0.018
local terms energy: -46.610043
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -8.642
flat angles C4'-P-C4' energy: -10.028
flat angles P-C4'-P energy: -5.396
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: 3, replica: 6
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -89.891248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.891248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.891248 (E_RNA)
where:
Base-Base interactions energy: -41.346
where: short stacking energy: -41.346
Base-Backbone interact. energy: -0.126
local terms energy: -48.419105
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -7.598
flat angles P-C4'-P energy: -6.211
tors. eta vs tors. theta energy: -8.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -112.147508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.147508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.147508 (E_RNA)
where:
Base-Base interactions energy: -63.361
where: short stacking energy: -40.592
Base-Backbone interact. energy: 0.361
local terms energy: -49.147792
where:
bonds (distance) C4'-P energy: -9.444
bonds (distance) P-C4' energy: -10.698
flat angles C4'-P-C4' energy: -7.294
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -11.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -77.988464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.988464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.988464 (E_RNA)
where:
Base-Base interactions energy: -33.420
where: short stacking energy: -34.191
Base-Backbone interact. energy: -0.011
local terms energy: -44.557900
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -9.988
flat angles C4'-P-C4' energy: -8.121
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -7.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -68.041661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.041661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.041661 (E_RNA)
where:
Base-Base interactions energy: -29.286
where: short stacking energy: -29.286
Base-Backbone interact. energy: -0.379
local terms energy: -38.376099
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -8.312
flat angles P-C4'-P energy: -2.777
tors. eta vs tors. theta energy: -0.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -72.404588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.404588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.404588 (E_RNA)
where:
Base-Base interactions energy: -28.268
where: short stacking energy: -28.268
Base-Backbone interact. energy: -0.002
local terms energy: -44.134944
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -11.126
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -5.093
tors. eta vs tors. theta energy: -5.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -65.361123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.361123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.361123 (E_RNA)
where:
Base-Base interactions energy: -22.806
where: short stacking energy: -22.806
Base-Backbone interact. energy: -0.010
local terms energy: -42.546003
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -8.646
flat angles P-C4'-P energy: -5.761
tors. eta vs tors. theta energy: -6.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -68.068869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.068869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.068869 (E_RNA)
where:
Base-Base interactions energy: -22.984
where: short stacking energy: -22.009
Base-Backbone interact. energy: -0.168
local terms energy: -44.916742
where:
bonds (distance) C4'-P energy: -9.125
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -4.146
tors. eta vs tors. theta energy: -4.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -64.778818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.778818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.778818 (E_RNA)
where:
Base-Base interactions energy: -25.955
where: short stacking energy: -25.955
Base-Backbone interact. energy: -0.001
local terms energy: -38.822258
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -8.961
flat angles C4'-P-C4' energy: -8.237
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -3.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -136.409055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.409055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.409055 (E_RNA)
where:
Base-Base interactions energy: -78.831
where: short stacking energy: -44.937
Base-Backbone interact. energy: 0.242
local terms energy: -57.820443
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -11.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -137.568945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.568945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.568945 (E_RNA)
where:
Base-Base interactions energy: -83.916
where: short stacking energy: -47.161
Base-Backbone interact. energy: -0.003
local terms energy: -53.650003
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -4.144
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: 3, replica: 6
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -88.958201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.958201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.958201 (E_RNA)
where:
Base-Base interactions energy: -43.298
where: short stacking energy: -34.998
Base-Backbone interact. energy: 0.916
local terms energy: -46.576285
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -10.920
flat angles C4'-P-C4' energy: -11.350
flat angles P-C4'-P energy: -3.679
tors. eta vs tors. theta energy: -7.570
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: 333
Temperature: 1.050000
Total energy: -115.959979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.959979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.959979 (E_RNA)
where:
Base-Base interactions energy: -67.815
where: short stacking energy: -39.335
Base-Backbone interact. energy: -0.098
local terms energy: -48.047364
where:
bonds (distance) C4'-P energy: -8.201
bonds (distance) P-C4' energy: -10.225
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -5.591
tors. eta vs tors. theta energy: -10.216
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: 5
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -83.659115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.659115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.659115 (E_RNA)
where:
Base-Base interactions energy: -38.495
where: short stacking energy: -30.754
Base-Backbone interact. energy: -0.014
local terms energy: -45.150140
where:
bonds (distance) C4'-P energy: -10.660
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -10.104
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -3.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -73.917180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.917180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.917180 (E_RNA)
where:
Base-Base interactions energy: -30.083
where: short stacking energy: -26.685
Base-Backbone interact. energy: 0.078
local terms energy: -43.911661
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -11.046
flat angles C4'-P-C4' energy: -9.802
flat angles P-C4'-P energy: -1.541
tors. eta vs tors. theta energy: -10.685
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: 7, replica: 3
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -84.349521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.349521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.349521 (E_RNA)
where:
Base-Base interactions energy: -38.651
where: short stacking energy: -38.651
Base-Backbone interact. energy: -0.003
local terms energy: -45.695055
where:
bonds (distance) C4'-P energy: -8.787
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -6.524
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: 8, replica: 7
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -70.853871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.853871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.853871 (E_RNA)
where:
Base-Base interactions energy: -24.423
where: short stacking energy: -24.423
Base-Backbone interact. energy: -0.256
local terms energy: -46.175353
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -8.942
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: -6.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -74.412783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.412783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.412783 (E_RNA)
where:
Base-Base interactions energy: -29.417
where: short stacking energy: -29.417
Base-Backbone interact. energy: -0.175
local terms energy: -44.821309
where:
bonds (distance) C4'-P energy: -4.882
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -9.306
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -7.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -58.525170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.525170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.525170 (E_RNA)
where:
Base-Base interactions energy: -17.770
where: short stacking energy: -17.770
Base-Backbone interact. energy: -0.027
local terms energy: -40.727936
where:
bonds (distance) C4'-P energy: -11.853
bonds (distance) P-C4' energy: -12.611
flat angles C4'-P-C4' energy: -9.850
flat angles P-C4'-P energy: -4.265
tors. eta vs tors. theta energy: -2.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -143.653451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.653451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.653451 (E_RNA)
where:
Base-Base interactions energy: -84.072
where: short stacking energy: -53.799
Base-Backbone interact. energy: -0.042
local terms energy: -59.540130
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -5.961
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: 2, replica: 10
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -134.912650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.912650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.912650 (E_RNA)
where:
Base-Base interactions energy: -86.073
where: short stacking energy: -43.534
Base-Backbone interact. energy: 1.330
local terms energy: -50.169010
where:
bonds (distance) C4'-P energy: -9.771
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -10.823
flat angles P-C4'-P energy: -4.533
tors. eta vs tors. theta energy: -12.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -125.198487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.198487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.198487 (E_RNA)
where:
Base-Base interactions energy: -73.133
where: short stacking energy: -39.325
Base-Backbone interact. energy: -0.105
local terms energy: -51.959793
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -10.385
flat angles P-C4'-P energy: -5.688
tors. eta vs tors. theta energy: -11.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -93.896049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.896049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.896049 (E_RNA)
where:
Base-Base interactions energy: -44.932
where: short stacking energy: -35.333
Base-Backbone interact. energy: -0.018
local terms energy: -48.946242
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -3.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -88.447455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.447455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.447455 (E_RNA)
where:
Base-Base interactions energy: -35.962
where: short stacking energy: -34.068
Base-Backbone interact. energy: -0.041
local terms energy: -52.444759
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -4.797
tors. eta vs tors. theta energy: -10.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -81.200956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.200956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.200956 (E_RNA)
where:
Base-Base interactions energy: -34.772
where: short stacking energy: -31.661
Base-Backbone interact. energy: -0.161
local terms energy: -46.268376
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -10.865
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -4.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -84.951690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.951690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.951690 (E_RNA)
where:
Base-Base interactions energy: -41.303
where: short stacking energy: -28.798
Base-Backbone interact. energy: -0.113
local terms energy: -43.535956
where:
bonds (distance) C4'-P energy: -10.056
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -11.261
flat angles P-C4'-P energy: -4.531
tors. eta vs tors. theta energy: -5.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -78.967400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.967400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.967400 (E_RNA)
where:
Base-Base interactions energy: -34.153
where: short stacking energy: -29.186
Base-Backbone interact. energy: -0.023
local terms energy: -44.791384
where:
bonds (distance) C4'-P energy: -8.463
bonds (distance) P-C4' energy: -11.459
flat angles C4'-P-C4' energy: -5.086
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -10.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -66.212352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.212352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.212352 (E_RNA)
where:
Base-Base interactions energy: -27.195
where: short stacking energy: -27.068
Base-Backbone interact. energy: -0.094
local terms energy: -38.923422
where:
bonds (distance) C4'-P energy: -9.816
bonds (distance) P-C4' energy: -9.573
flat angles C4'-P-C4' energy: -4.830
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -6.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -62.511185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.511185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.511185 (E_RNA)
where:
Base-Base interactions energy: -24.136
where: short stacking energy: -19.513
Base-Backbone interact. energy: -0.056
local terms energy: -38.319183
where:
bonds (distance) C4'-P energy: -10.127
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -8.478
flat angles P-C4'-P energy: -6.827
tors. eta vs tors. theta energy: 0.276
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: 1
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -142.111245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.111245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.111245 (E_RNA)
where:
Base-Base interactions energy: -83.293
where: short stacking energy: -49.783
Base-Backbone interact. energy: -0.008
local terms energy: -58.810117
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -6.197
tors. eta vs tors. theta energy: -13.700
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: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -124.918500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.918500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.918500 (E_RNA)
where:
Base-Base interactions energy: -71.825
where: short stacking energy: -42.711
Base-Backbone interact. energy: -0.002
local terms energy: -53.091337
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -3.612
tors. eta vs tors. theta energy: -9.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -126.527442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.527442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.527442 (E_RNA)
where:
Base-Base interactions energy: -85.274
where: short stacking energy: -42.681
Base-Backbone interact. energy: -0.101
local terms energy: -41.153292
where:
bonds (distance) C4'-P energy: -10.843
bonds (distance) P-C4' energy: -9.077
flat angles C4'-P-C4' energy: -6.631
flat angles P-C4'-P energy: -4.715
tors. eta vs tors. theta energy: -9.887
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: 4, replica: 8
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -104.168229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.168229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.168229 (E_RNA)
where:
Base-Base interactions energy: -51.099
where: short stacking energy: -35.925
Base-Backbone interact. energy: 0.995
local terms energy: -54.064549
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -10.844
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -10.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -87.240212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.240212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.240212 (E_RNA)
where:
Base-Base interactions energy: -36.785
where: short stacking energy: -36.785
Base-Backbone interact. energy: -0.034
local terms energy: -50.421659
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -8.288
flat angles C4'-P-C4' energy: -10.682
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -10.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -83.432005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.432005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.432005 (E_RNA)
where:
Base-Base interactions energy: -39.201
where: short stacking energy: -39.201
Base-Backbone interact. energy: -0.006
local terms energy: -44.225320
where:
bonds (distance) C4'-P energy: -5.105
bonds (distance) P-C4' energy: -9.669
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -7.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -78.504422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.504422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.504422 (E_RNA)
where:
Base-Base interactions energy: -48.089
where: short stacking energy: -25.954
Base-Backbone interact. energy: -0.170
local terms energy: -30.244662
where:
bonds (distance) C4'-P energy: -6.247
bonds (distance) P-C4' energy: -10.105
flat angles C4'-P-C4' energy: -6.129
flat angles P-C4'-P energy: -3.161
tors. eta vs tors. theta energy: -4.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -72.965386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.965386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.965386 (E_RNA)
where:
Base-Base interactions energy: -26.373
where: short stacking energy: -26.373
Base-Backbone interact. energy: -0.052
local terms energy: -46.539569
where:
bonds (distance) C4'-P energy: -11.257
bonds (distance) P-C4' energy: -9.805
flat angles C4'-P-C4' energy: -12.047
flat angles P-C4'-P energy: -7.223
tors. eta vs tors. theta energy: -6.208
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: 3
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -63.996648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.996648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.996648 (E_RNA)
where:
Base-Base interactions energy: -16.885
where: short stacking energy: -16.885
Base-Backbone interact. energy: -0.146
local terms energy: -46.965844
where:
bonds (distance) C4'-P energy: -9.886
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -8.308
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -4.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -62.669561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.669561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.669561 (E_RNA)
where:
Base-Base interactions energy: -20.579
where: short stacking energy: -20.579
Base-Backbone interact. energy: -0.115
local terms energy: -41.975736
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -8.390
flat angles C4'-P-C4' energy: -9.984
flat angles P-C4'-P energy: -6.213
tors. eta vs tors. theta energy: -4.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -122.921756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.921756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.921756 (E_RNA)
where:
Base-Base interactions energy: -70.925
where: short stacking energy: -42.993
Base-Backbone interact. energy: -0.015
local terms energy: -51.981454
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -10.274
flat angles P-C4'-P energy: -3.929
tors. eta vs tors. theta energy: -12.658
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: 1
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -134.310551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.310551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.310551 (E_RNA)
where:
Base-Base interactions energy: -74.940
where: short stacking energy: -43.107
Base-Backbone interact. energy: -0.006
local terms energy: -59.364130
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -11.916
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: 10
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -126.872804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.872804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.872804 (E_RNA)
where:
Base-Base interactions energy: -70.956
where: short stacking energy: -42.620
Base-Backbone interact. energy: -0.061
local terms energy: -55.855810
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -10.482
flat angles C4'-P-C4' energy: -11.781
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -13.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -92.309498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.309498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.309498 (E_RNA)
where:
Base-Base interactions energy: -45.501
where: short stacking energy: -25.055
Base-Backbone interact. energy: -0.423
local terms energy: -46.385379
where:
bonds (distance) C4'-P energy: -11.952
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -9.260
flat angles P-C4'-P energy: -4.263
tors. eta vs tors. theta energy: -8.717
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: 5
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -74.974489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.974489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.974489 (E_RNA)
where:
Base-Base interactions energy: -30.500
where: short stacking energy: -30.500
Base-Backbone interact. energy: -0.012
local terms energy: -44.462904
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -9.150
flat angles C4'-P-C4' energy: -10.201
flat angles P-C4'-P energy: -5.425
tors. eta vs tors. theta energy: -8.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -90.302589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.302589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.302589 (E_RNA)
where:
Base-Base interactions energy: -44.451
where: short stacking energy: -44.451
Base-Backbone interact. energy: -0.000
local terms energy: -45.850923
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -5.670
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -10.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -66.058128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.058128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.058128 (E_RNA)
where:
Base-Base interactions energy: -19.938
where: short stacking energy: -19.938
Base-Backbone interact. energy: 0.528
local terms energy: -46.648441
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -11.515
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -2.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -75.778359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.778359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.778359 (E_RNA)
where:
Base-Base interactions energy: -41.466
where: short stacking energy: -23.035
Base-Backbone interact. energy: -0.189
local terms energy: -34.123410
where:
bonds (distance) C4'-P energy: -8.484
bonds (distance) P-C4' energy: -11.476
flat angles C4'-P-C4' energy: -6.018
flat angles P-C4'-P energy: -2.296
tors. eta vs tors. theta energy: -5.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -59.528913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.528913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.528913 (E_RNA)
where:
Base-Base interactions energy: -17.059
where: short stacking energy: -17.859
Base-Backbone interact. energy: -0.185
local terms energy: -42.284056
where:
bonds (distance) C4'-P energy: -10.590
bonds (distance) P-C4' energy: -10.799
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -1.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -58.104397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.104397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.104397 (E_RNA)
where:
Base-Base interactions energy: -16.811
where: short stacking energy: -16.811
Base-Backbone interact. energy: -0.007
local terms energy: -41.286750
where:
bonds (distance) C4'-P energy: -10.846
bonds (distance) P-C4' energy: -8.520
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -5.266
tors. eta vs tors. theta energy: -2.510
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: 1, replica: 4
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -130.886082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.886082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.886082 (E_RNA)
where:
Base-Base interactions energy: -76.975
where: short stacking energy: -51.109
Base-Backbone interact. energy: -0.002
local terms energy: -53.909229
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -9.062
flat angles C4'-P-C4' energy: -10.642
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -11.448
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: 1
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -124.113819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.113819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.113819 (E_RNA)
where:
Base-Base interactions energy: -70.561
where: short stacking energy: -30.537
Base-Backbone interact. energy: -0.294
local terms energy: -53.258637
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -7.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -123.964998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.964998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.964998 (E_RNA)
where:
Base-Base interactions energy: -69.397
where: short stacking energy: -43.742
Base-Backbone interact. energy: 0.145
local terms energy: -54.713080
where:
bonds (distance) C4'-P energy: -12.515
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -11.031
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -9.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -85.354704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.354704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.354704 (E_RNA)
where:
Base-Base interactions energy: -33.765
where: short stacking energy: -33.581
Base-Backbone interact. energy: -0.310
local terms energy: -51.279371
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -11.822
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -6.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -75.744210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.744210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.744210 (E_RNA)
where:
Base-Base interactions energy: -26.413
where: short stacking energy: -26.413
Base-Backbone interact. energy: -0.005
local terms energy: -49.325890
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -9.666
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -6.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -67.833478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.833478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.833478 (E_RNA)
where:
Base-Base interactions energy: -26.950
where: short stacking energy: -26.950
Base-Backbone interact. energy: -0.189
local terms energy: -40.694810
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -9.349
flat angles P-C4'-P energy: -4.911
tors. eta vs tors. theta energy: -1.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -66.968198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.968198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.968198 (E_RNA)
where:
Base-Base interactions energy: -21.506
where: short stacking energy: -20.580
Base-Backbone interact. energy: -0.031
local terms energy: -45.431298
where:
bonds (distance) C4'-P energy: -10.978
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -8.875
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -2.691
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: 2
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -69.537055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.537055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.537055 (E_RNA)
where:
Base-Base interactions energy: -27.850
where: short stacking energy: -27.850
Base-Backbone interact. energy: 0.523
local terms energy: -42.209764
where:
bonds (distance) C4'-P energy: -8.573
bonds (distance) P-C4' energy: -10.654
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -2.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -57.354833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.354833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.354833 (E_RNA)
where:
Base-Base interactions energy: -32.042
where: short stacking energy: -24.231
Base-Backbone interact. energy: -0.193
local terms energy: -25.119610
where:
bonds (distance) C4'-P energy: -6.317
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -3.568
flat angles P-C4'-P energy: -5.556
tors. eta vs tors. theta energy: 3.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -64.138803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.138803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.138803 (E_RNA)
where:
Base-Base interactions energy: -29.152
where: short stacking energy: -19.739
Base-Backbone interact. energy: -0.093
local terms energy: -34.893850
where:
bonds (distance) C4'-P energy: -10.949
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -6.137
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: 1.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -129.126745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.126745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.126745 (E_RNA)
where:
Base-Base interactions energy: -78.517
where: short stacking energy: -48.253
Base-Backbone interact. energy: -0.090
local terms energy: -50.520228
where:
bonds (distance) C4'-P energy: -9.687
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -10.515
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -9.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -124.152867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.152867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.152867 (E_RNA)
where:
Base-Base interactions energy: -64.590
where: short stacking energy: -40.744
Base-Backbone interact. energy: -0.086
local terms energy: -59.476894
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -10.200
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: 10
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -132.656898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.656898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.656898 (E_RNA)
where:
Base-Base interactions energy: -77.251
where: short stacking energy: -50.280
Base-Backbone interact. energy: -0.006
local terms energy: -55.399985
where:
bonds (distance) C4'-P energy: -10.280
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -10.116
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -13.673
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: 8
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -105.831359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.831359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.831359 (E_RNA)
where:
Base-Base interactions energy: -57.334
where: short stacking energy: -33.305
Base-Backbone interact. energy: -0.133
local terms energy: -48.365226
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -11.124
flat angles P-C4'-P energy: -4.611
tors. eta vs tors. theta energy: -7.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -82.577695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.577695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.577695 (E_RNA)
where:
Base-Base interactions energy: -40.908
where: short stacking energy: -22.154
Base-Backbone interact. energy: -0.107
local terms energy: -41.562370
where:
bonds (distance) C4'-P energy: -8.794
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -7.777
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -3.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -69.976825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.976825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.976825 (E_RNA)
where:
Base-Base interactions energy: -30.337
where: short stacking energy: -22.955
Base-Backbone interact. energy: -0.111
local terms energy: -39.528472
where:
bonds (distance) C4'-P energy: -7.646
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -10.675
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -1.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -79.313488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.313488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.313488 (E_RNA)
where:
Base-Base interactions energy: -27.418
where: short stacking energy: -27.418
Base-Backbone interact. energy: -0.006
local terms energy: -51.889863
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -8.893
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -7.946
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: 6
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -67.021947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.021947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.021947 (E_RNA)
where:
Base-Base interactions energy: -27.407
where: short stacking energy: -24.014
Base-Backbone interact. energy: -0.083
local terms energy: -39.532542
where:
bonds (distance) C4'-P energy: -9.940
bonds (distance) P-C4' energy: -9.313
flat angles C4'-P-C4' energy: -9.360
flat angles P-C4'-P energy: -6.294
tors. eta vs tors. theta energy: -4.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -68.116207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.116207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.116207 (E_RNA)
where:
Base-Base interactions energy: -29.974
where: short stacking energy: -29.974
Base-Backbone interact. energy: -0.046
local terms energy: -38.096509
where:
bonds (distance) C4'-P energy: -8.943
bonds (distance) P-C4' energy: -12.166
flat angles C4'-P-C4' energy: -7.848
flat angles P-C4'-P energy: -3.993
tors. eta vs tors. theta energy: -5.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -60.108751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.108751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.108751 (E_RNA)
where:
Base-Base interactions energy: -18.638
where: short stacking energy: -18.638
Base-Backbone interact. energy: -0.207
local terms energy: -41.263096
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -9.806
flat angles P-C4'-P energy: -4.665
tors. eta vs tors. theta energy: -3.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -124.597077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.597077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.597077 (E_RNA)
where:
Base-Base interactions energy: -70.336
where: short stacking energy: -39.683
Base-Backbone interact. energy: 0.015
local terms energy: -54.276287
where:
bonds (distance) C4'-P energy: -12.072
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -10.629
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -10.070
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: 10
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -136.539311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.539311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.539311 (E_RNA)
where:
Base-Base interactions energy: -84.538
where: short stacking energy: -49.373
Base-Backbone interact. energy: -0.076
local terms energy: -51.924871
where:
bonds (distance) C4'-P energy: -7.654
bonds (distance) P-C4' energy: -11.165
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -6.123
tors. eta vs tors. theta energy: -14.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -121.291413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.291413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.291413 (E_RNA)
where:
Base-Base interactions energy: -66.989
where: short stacking energy: -36.838
Base-Backbone interact. energy: 0.057
local terms energy: -54.358826
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -10.955
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -9.065
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: 8
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -132.746984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.746984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.746984 (E_RNA)
where:
Base-Base interactions energy: -79.032
where: short stacking energy: -47.891
Base-Backbone interact. energy: -0.090
local terms energy: -53.624533
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -10.529
flat angles C4'-P-C4' energy: -10.107
flat angles P-C4'-P energy: -7.782
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: 5, replica: 5
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -83.821703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.821703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.821703 (E_RNA)
where:
Base-Base interactions energy: -40.528
where: short stacking energy: -33.352
Base-Backbone interact. energy: -0.018
local terms energy: -43.275074
where:
bonds (distance) C4'-P energy: -7.530
bonds (distance) P-C4' energy: -11.212
flat angles C4'-P-C4' energy: -10.747
flat angles P-C4'-P energy: -6.829
tors. eta vs tors. theta energy: -6.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -75.518417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.518417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.518417 (E_RNA)
where:
Base-Base interactions energy: -31.076
where: short stacking energy: -31.076
Base-Backbone interact. energy: -0.092
local terms energy: -44.350515
where:
bonds (distance) C4'-P energy: -9.150
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -9.658
flat angles P-C4'-P energy: -6.013
tors. eta vs tors. theta energy: -4.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -74.788927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.788927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.788927 (E_RNA)
where:
Base-Base interactions energy: -32.905
where: short stacking energy: -32.905
Base-Backbone interact. energy: -0.103
local terms energy: -41.781165
where:
bonds (distance) C4'-P energy: -2.844
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -8.449
flat angles P-C4'-P energy: -8.037
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: 8, replica: 3
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -68.103112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.103112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.103112 (E_RNA)
where:
Base-Base interactions energy: -27.906
where: short stacking energy: -26.888
Base-Backbone interact. energy: -0.035
local terms energy: -40.162607
where:
bonds (distance) C4'-P energy: -11.227
bonds (distance) P-C4' energy: -11.402
flat angles C4'-P-C4' energy: -9.694
flat angles P-C4'-P energy: -4.695
tors. eta vs tors. theta energy: -3.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -58.070993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.070993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.070993 (E_RNA)
where:
Base-Base interactions energy: -16.370
where: short stacking energy: -16.370
Base-Backbone interact. energy: -0.080
local terms energy: -41.621663
where:
bonds (distance) C4'-P energy: -11.100
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -10.562
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: 0.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -63.223701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.223701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.223701 (E_RNA)
where:
Base-Base interactions energy: -25.787
where: short stacking energy: -22.715
Base-Backbone interact. energy: -0.079
local terms energy: -37.356928
where:
bonds (distance) C4'-P energy: -9.932
bonds (distance) P-C4' energy: -11.519
flat angles C4'-P-C4' energy: -7.379
flat angles P-C4'-P energy: -4.051
tors. eta vs tors. theta energy: -4.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -123.838122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.838122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.838122 (E_RNA)
where:
Base-Base interactions energy: -74.647
where: short stacking energy: -41.276
Base-Backbone interact. energy: -0.012
local terms energy: -49.179579
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -10.054
flat angles C4'-P-C4' energy: -9.556
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -9.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -128.254026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.254026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.254026 (E_RNA)
where:
Base-Base interactions energy: -70.012
where: short stacking energy: -40.005
Base-Backbone interact. energy: -0.046
local terms energy: -58.196241
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -11.783
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: 8
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -136.468591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.468591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.468591 (E_RNA)
where:
Base-Base interactions energy: -82.030
where: short stacking energy: -49.661
Base-Backbone interact. energy: -0.120
local terms energy: -54.318882
where:
bonds (distance) C4'-P energy: -7.233
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -7.326
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: 4, replica: 4
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -129.520419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.520419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.520419 (E_RNA)
where:
Base-Base interactions energy: -69.881
where: short stacking energy: -40.079
Base-Backbone interact. energy: -0.089
local terms energy: -59.550885
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: -10.969
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: 2
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -77.989391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.989391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.989391 (E_RNA)
where:
Base-Base interactions energy: -33.100
where: short stacking energy: -33.100
Base-Backbone interact. energy: -0.191
local terms energy: -44.697481
where:
bonds (distance) C4'-P energy: -9.683
bonds (distance) P-C4' energy: -11.307
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -6.169
tors. eta vs tors. theta energy: -4.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -70.982642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.982642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.982642 (E_RNA)
where:
Base-Base interactions energy: -27.693
where: short stacking energy: -27.693
Base-Backbone interact. energy: -0.115
local terms energy: -43.174668
where:
bonds (distance) C4'-P energy: -8.532
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -5.576
tors. eta vs tors. theta energy: -3.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -74.556963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.556963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.556963 (E_RNA)
where:
Base-Base interactions energy: -29.146
where: short stacking energy: -29.146
Base-Backbone interact. energy: -0.002
local terms energy: -45.409730
where:
bonds (distance) C4'-P energy: -11.977
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -9.807
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -4.968
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: 8, replica: 9
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -71.804405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.804405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.804405 (E_RNA)
where:
Base-Base interactions energy: -33.507
where: short stacking energy: -33.507
Base-Backbone interact. energy: -0.026
local terms energy: -38.270812
where:
bonds (distance) C4'-P energy: -4.616
bonds (distance) P-C4' energy: -11.740
flat angles C4'-P-C4' energy: -8.822
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: -6.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -59.739169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.739169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.739169 (E_RNA)
where:
Base-Base interactions energy: -16.991
where: short stacking energy: -15.671
Base-Backbone interact. energy: 0.599
local terms energy: -43.346869
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -12.195
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -0.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -70.273756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.273756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.273756 (E_RNA)
where:
Base-Base interactions energy: -20.651
where: short stacking energy: -20.651
Base-Backbone interact. energy: 0.602
local terms energy: -50.225396
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -11.526
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -7.603
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: 10
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -131.411419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.411419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.411419 (E_RNA)
where:
Base-Base interactions energy: -76.124
where: short stacking energy: -48.793
Base-Backbone interact. energy: -0.046
local terms energy: -55.241956
where:
bonds (distance) C4'-P energy: -8.790
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -10.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -141.503799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.503799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.503799 (E_RNA)
where:
Base-Base interactions energy: -79.881
where: short stacking energy: -49.855
Base-Backbone interact. energy: -0.111
local terms energy: -61.511216
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -14.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -116.101066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.101066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.101066 (E_RNA)
where:
Base-Base interactions energy: -62.829
where: short stacking energy: -44.284
Base-Backbone interact. energy: -0.062
local terms energy: -53.210067
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -7.083
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: 4, replica: 4
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -111.750234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.750234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.750234 (E_RNA)
where:
Base-Base interactions energy: -63.977
where: short stacking energy: -36.898
Base-Backbone interact. energy: -0.009
local terms energy: -47.764739
where:
bonds (distance) C4'-P energy: -7.874
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -11.479
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -5.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -78.086421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.086421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.086421 (E_RNA)
where:
Base-Base interactions energy: -35.165
where: short stacking energy: -30.337
Base-Backbone interact. energy: -0.212
local terms energy: -42.709532
where:
bonds (distance) C4'-P energy: -11.335
bonds (distance) P-C4' energy: -9.403
flat angles C4'-P-C4' energy: -9.963
flat angles P-C4'-P energy: -6.297
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: 6, replica: 3
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -71.913813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.913813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.913813 (E_RNA)
where:
Base-Base interactions energy: -31.624
where: short stacking energy: -31.093
Base-Backbone interact. energy: -0.153
local terms energy: -40.136183
where:
bonds (distance) C4'-P energy: -5.750
bonds (distance) P-C4' energy: -9.236
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -3.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -75.407298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.407298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.407298 (E_RNA)
where:
Base-Base interactions energy: -31.847
where: short stacking energy: -31.847
Base-Backbone interact. energy: -0.014
local terms energy: -43.546635
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -9.425
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -3.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -84.194185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.194185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.194185 (E_RNA)
where:
Base-Base interactions energy: -35.145
where: short stacking energy: -35.145
Base-Backbone interact. energy: -0.007
local terms energy: -49.041792
where:
bonds (distance) C4'-P energy: -10.429
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -9.803
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -8.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -67.243963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.243963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.243963 (E_RNA)
where:
Base-Base interactions energy: -27.138
where: short stacking energy: -27.138
Base-Backbone interact. energy: -0.008
local terms energy: -40.097490
where:
bonds (distance) C4'-P energy: -8.732
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -0.149
tors. eta vs tors. theta energy: -8.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -63.151589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.151589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.151589 (E_RNA)
where:
Base-Base interactions energy: -22.672
where: short stacking energy: -22.672
Base-Backbone interact. energy: -0.032
local terms energy: -40.447818
where:
bonds (distance) C4'-P energy: -8.379
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -11.113
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -2.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -137.873354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.873354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.873354 (E_RNA)
where:
Base-Base interactions energy: -77.358
where: short stacking energy: -42.929
Base-Backbone interact. energy: -0.058
local terms energy: -60.457426
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -10.916
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: 2, replica: 8
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -129.985938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.985938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.985938 (E_RNA)
where:
Base-Base interactions energy: -72.318
where: short stacking energy: -42.175
Base-Backbone interact. energy: -0.064
local terms energy: -57.603297
where:
bonds (distance) C4'-P energy: -13.062
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -10.274
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -11.777
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: 4
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -124.259130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.259130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.259130 (E_RNA)
where:
Base-Base interactions energy: -65.701
where: short stacking energy: -42.961
Base-Backbone interact. energy: -0.180
local terms energy: -58.378318
where:
bonds (distance) C4'-P energy: -7.708
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -15.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -119.713177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.713177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.713177 (E_RNA)
where:
Base-Base interactions energy: -67.583
where: short stacking energy: -44.620
Base-Backbone interact. energy: -0.190
local terms energy: -51.940630
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -10.527
flat angles C4'-P-C4' energy: -10.450
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -10.002
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: 5, replica: 3
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -71.487117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.487117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.487117 (E_RNA)
where:
Base-Base interactions energy: -28.728
where: short stacking energy: -23.474
Base-Backbone interact. energy: -0.258
local terms energy: -42.500722
where:
bonds (distance) C4'-P energy: -10.831
bonds (distance) P-C4' energy: -10.414
flat angles C4'-P-C4' energy: -10.232
flat angles P-C4'-P energy: -9.257
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: 6, replica: 2
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -83.263007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.263007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.263007 (E_RNA)
where:
Base-Base interactions energy: -37.916
where: short stacking energy: -37.187
Base-Backbone interact. energy: 1.131
local terms energy: -46.478014
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -9.911
flat angles P-C4'-P energy: -4.341
tors. eta vs tors. theta energy: -6.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -74.459036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.459036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.459036 (E_RNA)
where:
Base-Base interactions energy: -28.285
where: short stacking energy: -27.325
Base-Backbone interact. energy: -0.263
local terms energy: -45.910654
where:
bonds (distance) C4'-P energy: -10.561
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -9.547
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -4.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -81.267749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.267749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.267749 (E_RNA)
where:
Base-Base interactions energy: -40.225
where: short stacking energy: -35.149
Base-Backbone interact. energy: -0.034
local terms energy: -41.008632
where:
bonds (distance) C4'-P energy: -8.275
bonds (distance) P-C4' energy: -10.623
flat angles C4'-P-C4' energy: -10.942
flat angles P-C4'-P energy: -3.638
tors. eta vs tors. theta energy: -7.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -69.666135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.666135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.666135 (E_RNA)
where:
Base-Base interactions energy: -29.793
where: short stacking energy: -17.958
Base-Backbone interact. energy: -0.050
local terms energy: -39.823236
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -5.502
tors. eta vs tors. theta energy: 0.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -92.550705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.550705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.550705 (E_RNA)
where:
Base-Base interactions energy: -57.379
where: short stacking energy: -25.148
Base-Backbone interact. energy: 0.736
local terms energy: -35.907130
where:
bonds (distance) C4'-P energy: -5.444
bonds (distance) P-C4' energy: -10.928
flat angles C4'-P-C4' energy: -10.191
flat angles P-C4'-P energy: -3.142
tors. eta vs tors. theta energy: -6.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -132.197492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.197492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.197492 (E_RNA)
where:
Base-Base interactions energy: -76.334
where: short stacking energy: -48.252
Base-Backbone interact. energy: -0.018
local terms energy: -55.845140
where:
bonds (distance) C4'-P energy: -12.026
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -4.997
tors. eta vs tors. theta energy: -11.702
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: 8
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -137.739651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.739651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.739651 (E_RNA)
where:
Base-Base interactions energy: -84.802
where: short stacking energy: -55.815
Base-Backbone interact. energy: -0.002
local terms energy: -52.935535
where:
bonds (distance) C4'-P energy: -10.917
bonds (distance) P-C4' energy: -8.709
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -7.094
tors. eta vs tors. theta energy: -14.145
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: 3, replica: 4
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -121.020482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.020482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.020482 (E_RNA)
where:
Base-Base interactions energy: -72.339
where: short stacking energy: -47.009
Base-Backbone interact. energy: -0.030
local terms energy: -48.651782
where:
bonds (distance) C4'-P energy: -9.435
bonds (distance) P-C4' energy: -10.721
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -5.776
tors. eta vs tors. theta energy: -9.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -124.332635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.332635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.332635 (E_RNA)
where:
Base-Base interactions energy: -71.895
where: short stacking energy: -41.736
Base-Backbone interact. energy: -0.164
local terms energy: -52.274162
where:
bonds (distance) C4'-P energy: -11.207
bonds (distance) P-C4' energy: -11.457
flat angles C4'-P-C4' energy: -10.156
flat angles P-C4'-P energy: -6.447
tors. eta vs tors. theta energy: -13.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -86.320851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.320851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.320851 (E_RNA)
where:
Base-Base interactions energy: -44.550
where: short stacking energy: -34.753
Base-Backbone interact. energy: -0.734
local terms energy: -41.036806
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -11.221
flat angles C4'-P-C4' energy: -8.947
flat angles P-C4'-P energy: -4.729
tors. eta vs tors. theta energy: -3.712
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: 9
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -84.043253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.043253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.043253 (E_RNA)
where:
Base-Base interactions energy: -32.815
where: short stacking energy: -32.815
Base-Backbone interact. energy: -0.005
local terms energy: -51.223094
where:
bonds (distance) C4'-P energy: -10.792
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -10.437
flat angles P-C4'-P energy: -7.185
tors. eta vs tors. theta energy: -9.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -72.864036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.864036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.864036 (E_RNA)
where:
Base-Base interactions energy: -25.807
where: short stacking energy: -25.807
Base-Backbone interact. energy: -0.085
local terms energy: -46.972350
where:
bonds (distance) C4'-P energy: -11.265
bonds (distance) P-C4' energy: -11.250
flat angles C4'-P-C4' energy: -8.757
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -8.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -81.883502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.883502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.883502 (E_RNA)
where:
Base-Base interactions energy: -34.475
where: short stacking energy: -30.106
Base-Backbone interact. energy: -0.056
local terms energy: -47.352892
where:
bonds (distance) C4'-P energy: -6.310
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -4.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -72.328355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.328355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.328355 (E_RNA)
where:
Base-Base interactions energy: -23.623
where: short stacking energy: -23.623
Base-Backbone interact. energy: -0.063
local terms energy: -48.642217
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -4.108
tors. eta vs tors. theta energy: -8.045
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: 7
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -63.085919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.085919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.085919 (E_RNA)
where:
Base-Base interactions energy: -21.030
where: short stacking energy: -21.030
Base-Backbone interact. energy: 0.913
local terms energy: -42.968963
where:
bonds (distance) C4'-P energy: -13.505
bonds (distance) P-C4' energy: -9.436
flat angles C4'-P-C4' energy: -9.055
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -3.500
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: 1, replica: 8
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -140.700761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.700761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.700761 (E_RNA)
where:
Base-Base interactions energy: -78.607
where: short stacking energy: -50.031
Base-Backbone interact. energy: 0.217
local terms energy: -62.310190
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -13.609
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: 10
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -126.477636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.477636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.477636 (E_RNA)
where:
Base-Base interactions energy: -66.553
where: short stacking energy: -38.777
Base-Backbone interact. energy: -0.097
local terms energy: -59.827104
where:
bonds (distance) C4'-P energy: -13.807
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -11.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -123.867531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.867531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.867531 (E_RNA)
where:
Base-Base interactions energy: -69.871
where: short stacking energy: -43.812
Base-Backbone interact. energy: -0.004
local terms energy: -53.993353
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -10.558
flat angles P-C4'-P energy: -7.285
tors. eta vs tors. theta energy: -10.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -118.470435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.470435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.470435 (E_RNA)
where:
Base-Base interactions energy: -69.300
where: short stacking energy: -43.915
Base-Backbone interact. energy: -0.118
local terms energy: -49.052569
where:
bonds (distance) C4'-P energy: -10.842
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -9.754
flat angles P-C4'-P energy: -4.348
tors. eta vs tors. theta energy: -11.755
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: 9
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -86.985427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.985427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.985427 (E_RNA)
where:
Base-Base interactions energy: -37.221
where: short stacking energy: -26.582
Base-Backbone interact. energy: -0.068
local terms energy: -49.696305
where:
bonds (distance) C4'-P energy: -9.986
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -10.357
flat angles P-C4'-P energy: -9.555
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: 6, replica: 3
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -77.740318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.740318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.740318 (E_RNA)
where:
Base-Base interactions energy: -33.595
where: short stacking energy: -33.595
Base-Backbone interact. energy: -0.001
local terms energy: -44.144635
where:
bonds (distance) C4'-P energy: -10.350
bonds (distance) P-C4' energy: -9.912
flat angles C4'-P-C4' energy: -8.625
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -6.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -62.175290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.175290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.175290 (E_RNA)
where:
Base-Base interactions energy: -26.752
where: short stacking energy: -26.752
Base-Backbone interact. energy: -0.085
local terms energy: -35.337768
where:
bonds (distance) C4'-P energy: -8.835
bonds (distance) P-C4' energy: -11.168
flat angles C4'-P-C4' energy: -6.897
flat angles P-C4'-P energy: -7.280
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: 8, replica: 2
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -70.299629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.299629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.299629 (E_RNA)
where:
Base-Base interactions energy: -30.617
where: short stacking energy: -27.801
Base-Backbone interact. energy: -0.113
local terms energy: -39.569906
where:
bonds (distance) C4'-P energy: -9.733
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -8.589
flat angles P-C4'-P energy: -5.254
tors. eta vs tors. theta energy: -4.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -62.566580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.566580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.566580 (E_RNA)
where:
Base-Base interactions energy: -22.358
where: short stacking energy: -22.558
Base-Backbone interact. energy: -0.008
local terms energy: -40.200598
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -10.694
flat angles C4'-P-C4' energy: -9.636
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: 1.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -66.903340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.903340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.903340 (E_RNA)
where:
Base-Base interactions energy: -21.031
where: short stacking energy: -19.039
Base-Backbone interact. energy: -0.108
local terms energy: -45.764367
where:
bonds (distance) C4'-P energy: -9.774
bonds (distance) P-C4' energy: -11.243
flat angles C4'-P-C4' energy: -9.534
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -6.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -141.132366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.132366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.132366 (E_RNA)
where:
Base-Base interactions energy: -84.695
where: short stacking energy: -51.014
Base-Backbone interact. energy: -0.029
local terms energy: -56.408326
where:
bonds (distance) C4'-P energy: -10.663
bonds (distance) P-C4' energy: -11.699
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: -15.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -121.889206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.889206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.889206 (E_RNA)
where:
Base-Base interactions energy: -66.987
where: short stacking energy: -45.154
Base-Backbone interact. energy: -0.053
local terms energy: -54.848871
where:
bonds (distance) C4'-P energy: -10.193
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -12.109
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: 10
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -131.598835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.598835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.598835 (E_RNA)
where:
Base-Base interactions energy: -69.639
where: short stacking energy: -48.750
Base-Backbone interact. energy: 0.880
local terms energy: -62.840112
where:
bonds (distance) C4'-P energy: -11.203
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -14.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -130.387159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.387159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.387159 (E_RNA)
where:
Base-Base interactions energy: -78.442
where: short stacking energy: -52.811
Base-Backbone interact. energy: -0.019
local terms energy: -51.925947
where:
bonds (distance) C4'-P energy: -8.822
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -9.918
flat angles P-C4'-P energy: -6.181
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: 345
Temperature: 1.100000
Total energy: -80.570565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.570565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.570565 (E_RNA)
where:
Base-Base interactions energy: -38.207
where: short stacking energy: -36.367
Base-Backbone interact. energy: -0.169
local terms energy: -42.194328
where:
bonds (distance) C4'-P energy: -6.624
bonds (distance) P-C4' energy: -7.576
flat angles C4'-P-C4' energy: -11.035
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -8.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -85.415018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.415018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.415018 (E_RNA)
where:
Base-Base interactions energy: -41.189
where: short stacking energy: -41.189
Base-Backbone interact. energy: -0.005
local terms energy: -44.220116
where:
bonds (distance) C4'-P energy: -8.267
bonds (distance) P-C4' energy: -10.080
flat angles C4'-P-C4' energy: -10.624
flat angles P-C4'-P energy: -3.187
tors. eta vs tors. theta energy: -12.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -80.331139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.331139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.331139 (E_RNA)
where:
Base-Base interactions energy: -33.053
where: short stacking energy: -28.026
Base-Backbone interact. energy: -1.017
local terms energy: -46.261727
where:
bonds (distance) C4'-P energy: -8.574
bonds (distance) P-C4' energy: -9.552
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -5.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -73.042683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.042683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.042683 (E_RNA)
where:
Base-Base interactions energy: -25.593
where: short stacking energy: -25.593
Base-Backbone interact. energy: -0.071
local terms energy: -47.378804
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -11.044
flat angles C4'-P-C4' energy: -8.292
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -6.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -72.396105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.396105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.396105 (E_RNA)
where:
Base-Base interactions energy: -23.335
where: short stacking energy: -23.335
Base-Backbone interact. energy: -0.031
local terms energy: -49.029880
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -6.048
tors. eta vs tors. theta energy: -3.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -61.781339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.781339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.781339 (E_RNA)
where:
Base-Base interactions energy: -22.049
where: short stacking energy: -22.049
Base-Backbone interact. energy: -0.027
local terms energy: -39.705160
where:
bonds (distance) C4'-P energy: -7.485
bonds (distance) P-C4' energy: -8.409
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: -3.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -151.614701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.614701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.614701 (E_RNA)
where:
Base-Base interactions energy: -91.853
where: short stacking energy: -57.964
Base-Backbone interact. energy: -0.020
local terms energy: -59.741493
where:
bonds (distance) C4'-P energy: -8.666
bonds (distance) P-C4' energy: -12.675
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -14.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -129.793127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.793127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.793127 (E_RNA)
where:
Base-Base interactions energy: -75.841
where: short stacking energy: -49.436
Base-Backbone interact. energy: -0.010
local terms energy: -53.942972
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -11.675
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -10.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -128.063124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.063124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.063124 (E_RNA)
where:
Base-Base interactions energy: -79.828
where: short stacking energy: -46.284
Base-Backbone interact. energy: -0.016
local terms energy: -48.219669
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -9.365
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -5.990
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: 4, replica: 1
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -114.502771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.502771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.502771 (E_RNA)
where:
Base-Base interactions energy: -66.257
where: short stacking energy: -34.428
Base-Backbone interact. energy: -0.003
local terms energy: -48.243514
where:
bonds (distance) C4'-P energy: -8.934
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -10.473
flat angles P-C4'-P energy: -5.883
tors. eta vs tors. theta energy: -10.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -86.053507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.053507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.053507 (E_RNA)
where:
Base-Base interactions energy: -36.057
where: short stacking energy: -36.057
Base-Backbone interact. energy: -0.004
local terms energy: -49.993090
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -9.838
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -6.742
tors. eta vs tors. theta energy: -8.559
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: 6, replica: 9
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -85.656221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.656221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.656221 (E_RNA)
where:
Base-Base interactions energy: -33.955
where: short stacking energy: -32.808
Base-Backbone interact. energy: -0.005
local terms energy: -51.695890
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -11.419
flat angles C4'-P-C4' energy: -8.704
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -10.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -74.020577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.020577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.020577 (E_RNA)
where:
Base-Base interactions energy: -33.218
where: short stacking energy: -30.250
Base-Backbone interact. energy: -0.079
local terms energy: -40.724158
where:
bonds (distance) C4'-P energy: -9.729
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -10.629
flat angles P-C4'-P energy: -6.643
tors. eta vs tors. theta energy: 0.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -69.827197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.827197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.827197 (E_RNA)
where:
Base-Base interactions energy: -27.075
where: short stacking energy: -27.075
Base-Backbone interact. energy: -0.019
local terms energy: -42.733336
where:
bonds (distance) C4'-P energy: -7.643
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -11.316
flat angles P-C4'-P energy: -4.857
tors. eta vs tors. theta energy: -5.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -77.560333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.560333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.560333 (E_RNA)
where:
Base-Base interactions energy: -32.553
where: short stacking energy: -32.553
Base-Backbone interact. energy: -0.002
local terms energy: -45.005431
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -8.675
flat angles C4'-P-C4' energy: -10.146
flat angles P-C4'-P energy: -6.097
tors. eta vs tors. theta energy: -8.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -60.059027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.059027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.059027 (E_RNA)
where:
Base-Base interactions energy: -20.869
where: short stacking energy: -20.302
Base-Backbone interact. energy: -0.067
local terms energy: -39.123166
where:
bonds (distance) C4'-P energy: -7.607
bonds (distance) P-C4' energy: -10.948
flat angles C4'-P-C4' energy: -8.753
flat angles P-C4'-P energy: -5.707
tors. eta vs tors. theta energy: -6.109
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: 1, replica: 8
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -135.805562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.805562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.805562 (E_RNA)
where:
Base-Base interactions energy: -75.902
where: short stacking energy: -47.856
Base-Backbone interact. energy: -0.016
local terms energy: -59.887169
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -11.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -136.864736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.864736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.864736 (E_RNA)
where:
Base-Base interactions energy: -79.998
where: short stacking energy: -46.419
Base-Backbone interact. energy: -0.002
local terms energy: -56.863966
where:
bonds (distance) C4'-P energy: -10.119
bonds (distance) P-C4' energy: -12.153
flat angles C4'-P-C4' energy: -10.256
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -14.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -113.945389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.945389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.945389 (E_RNA)
where:
Base-Base interactions energy: -68.456
where: short stacking energy: -39.230
Base-Backbone interact. energy: -0.123
local terms energy: -45.366704
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -9.858
flat angles C4'-P-C4' energy: -10.270
flat angles P-C4'-P energy: -7.567
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: 4, replica: 6
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -88.545999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.545999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.545999 (E_RNA)
where:
Base-Base interactions energy: -48.596
where: short stacking energy: -30.785
Base-Backbone interact. energy: -0.278
local terms energy: -39.671936
where:
bonds (distance) C4'-P energy: -8.298
bonds (distance) P-C4' energy: -11.321
flat angles C4'-P-C4' energy: -8.666
flat angles P-C4'-P energy: -7.325
tors. eta vs tors. theta energy: -4.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -113.498072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.498072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.498072 (E_RNA)
where:
Base-Base interactions energy: -67.175
where: short stacking energy: -40.164
Base-Backbone interact. energy: -0.093
local terms energy: -46.229697
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -9.313
flat angles C4'-P-C4' energy: -9.467
flat angles P-C4'-P energy: -5.431
tors. eta vs tors. theta energy: -10.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -73.038782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.038782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.038782 (E_RNA)
where:
Base-Base interactions energy: -23.554
where: short stacking energy: -23.554
Base-Backbone interact. energy: -0.071
local terms energy: -49.413747
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -11.871
flat angles C4'-P-C4' energy: -11.502
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -5.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -80.142017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.142017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.142017 (E_RNA)
where:
Base-Base interactions energy: -26.736
where: short stacking energy: -25.569
Base-Backbone interact. energy: -0.038
local terms energy: -53.367805
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -10.231
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -8.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -63.670041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.670041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.670041 (E_RNA)
where:
Base-Base interactions energy: -24.490
where: short stacking energy: -24.490
Base-Backbone interact. energy: -0.009
local terms energy: -39.171105
where:
bonds (distance) C4'-P energy: -11.228
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -9.450
flat angles P-C4'-P energy: -2.621
tors. eta vs tors. theta energy: -3.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -73.799775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.799775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.799775 (E_RNA)
where:
Base-Base interactions energy: -32.071
where: short stacking energy: -32.071
Base-Backbone interact. energy: -0.014
local terms energy: -41.714304
where:
bonds (distance) C4'-P energy: -6.227
bonds (distance) P-C4' energy: -10.591
flat angles C4'-P-C4' energy: -11.322
flat angles P-C4'-P energy: -5.339
tors. eta vs tors. theta energy: -8.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -78.382305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.382305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.382305 (E_RNA)
where:
Base-Base interactions energy: -36.304
where: short stacking energy: -29.624
Base-Backbone interact. energy: -0.112
local terms energy: -41.966089
where:
bonds (distance) C4'-P energy: -8.387
bonds (distance) P-C4' energy: -6.037
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -8.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -137.817734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.817734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.817734 (E_RNA)
where:
Base-Base interactions energy: -81.258
where: short stacking energy: -52.797
Base-Backbone interact. energy: -0.019
local terms energy: -56.540629
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -9.847
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -14.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -136.669484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.669484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.669484 (E_RNA)
where:
Base-Base interactions energy: -85.375
where: short stacking energy: -47.744
Base-Backbone interact. energy: -0.237
local terms energy: -51.057356
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -9.406
flat angles P-C4'-P energy: -6.423
tors. eta vs tors. theta energy: -9.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -127.445577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.445577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.445577 (E_RNA)
where:
Base-Base interactions energy: -68.316
where: short stacking energy: -46.566
Base-Backbone interact. energy: -0.045
local terms energy: -59.084282
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -11.890
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -14.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -91.867327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.867327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.867327 (E_RNA)
where:
Base-Base interactions energy: -41.040
where: short stacking energy: -41.040
Base-Backbone interact. energy: -0.029
local terms energy: -50.798379
where:
bonds (distance) C4'-P energy: -8.673
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -9.780
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -9.786
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: 1
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -115.564608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.564608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.564608 (E_RNA)
where:
Base-Base interactions energy: -65.609
where: short stacking energy: -35.002
Base-Backbone interact. energy: -0.110
local terms energy: -49.845897
where:
bonds (distance) C4'-P energy: -10.544
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -9.777
flat angles P-C4'-P energy: -7.909
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: 6, replica: 9
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -86.727827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.727827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.727827 (E_RNA)
where:
Base-Base interactions energy: -39.884
where: short stacking energy: -39.884
Base-Backbone interact. energy: -0.050
local terms energy: -46.793792
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -8.194
flat angles P-C4'-P energy: -4.405
tors. eta vs tors. theta energy: -7.860
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: 5
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -73.530037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.530037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.530037 (E_RNA)
where:
Base-Base interactions energy: -24.944
where: short stacking energy: -24.944
Base-Backbone interact. energy: -0.021
local terms energy: -48.564684
where:
bonds (distance) C4'-P energy: -10.275
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: -5.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -67.538352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.538352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.538352 (E_RNA)
where:
Base-Base interactions energy: -22.437
where: short stacking energy: -22.437
Base-Backbone interact. energy: -0.144
local terms energy: -44.957169
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -7.111
flat angles P-C4'-P energy: -7.199
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: 9, replica: 2
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -55.664481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.664481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.664481 (E_RNA)
where:
Base-Base interactions energy: -17.575
where: short stacking energy: -11.579
Base-Backbone interact. energy: -0.148
local terms energy: -37.941282
where:
bonds (distance) C4'-P energy: -10.718
bonds (distance) P-C4' energy: -11.865
flat angles C4'-P-C4' energy: -9.075
flat angles P-C4'-P energy: -8.313
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: 10, replica: 3
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -67.955992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.955992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.955992 (E_RNA)
where:
Base-Base interactions energy: -30.204
where: short stacking energy: -27.409
Base-Backbone interact. energy: -0.030
local terms energy: -37.721483
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -9.348
flat angles C4'-P-C4' energy: -8.169
flat angles P-C4'-P energy: -2.291
tors. eta vs tors. theta energy: -4.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -134.531961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.531961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.531961 (E_RNA)
where:
Base-Base interactions energy: -73.739
where: short stacking energy: -46.734
Base-Backbone interact. energy: -0.043
local terms energy: -60.750316
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -13.888
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: 4
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -125.451711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.451711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.451711 (E_RNA)
where:
Base-Base interactions energy: -73.849
where: short stacking energy: -46.948
Base-Backbone interact. energy: -0.009
local terms energy: -51.593225
where:
bonds (distance) C4'-P energy: -10.768
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -8.883
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -9.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -116.624154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.624154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.624154 (E_RNA)
where:
Base-Base interactions energy: -66.269
where: short stacking energy: -40.080
Base-Backbone interact. energy: -0.196
local terms energy: -50.158595
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -11.153
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -6.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -122.270703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.270703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.270703 (E_RNA)
where:
Base-Base interactions energy: -70.302
where: short stacking energy: -37.692
Base-Backbone interact. energy: -0.139
local terms energy: -51.830165
where:
bonds (distance) C4'-P energy: -8.879
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -10.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -82.500561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.500561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.500561 (E_RNA)
where:
Base-Base interactions energy: -37.997
where: short stacking energy: -37.997
Base-Backbone interact. energy: -0.134
local terms energy: -44.369615
where:
bonds (distance) C4'-P energy: -9.133
bonds (distance) P-C4' energy: -12.064
flat angles C4'-P-C4' energy: -9.460
flat angles P-C4'-P energy: -4.884
tors. eta vs tors. theta energy: -8.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -83.835911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.835911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.835911 (E_RNA)
where:
Base-Base interactions energy: -38.740
where: short stacking energy: -38.740
Base-Backbone interact. energy: -0.171
local terms energy: -44.924704
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -10.000
flat angles P-C4'-P energy: -4.945
tors. eta vs tors. theta energy: -6.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -85.511965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.511965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.511965 (E_RNA)
where:
Base-Base interactions energy: -43.209
where: short stacking energy: -30.434
Base-Backbone interact. energy: -0.140
local terms energy: -42.162753
where:
bonds (distance) C4'-P energy: -8.896
bonds (distance) P-C4' energy: -10.228
flat angles C4'-P-C4' energy: -5.952
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -9.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -71.300030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.300030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.300030 (E_RNA)
where:
Base-Base interactions energy: -25.065
where: short stacking energy: -25.065
Base-Backbone interact. energy: -0.020
local terms energy: -46.214219
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -8.878
flat angles C4'-P-C4' energy: -9.075
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -6.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -56.831177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.831177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.831177 (E_RNA)
where:
Base-Base interactions energy: -22.879
where: short stacking energy: -9.957
Base-Backbone interact. energy: -0.361
local terms energy: -33.591294
where:
bonds (distance) C4'-P energy: -10.627
bonds (distance) P-C4' energy: -11.115
flat angles C4'-P-C4' energy: -6.975
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: 4.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -60.244369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.244369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.244369 (E_RNA)
where:
Base-Base interactions energy: -25.485
where: short stacking energy: -25.485
Base-Backbone interact. energy: -0.008
local terms energy: -34.751731
where:
bonds (distance) C4'-P energy: -8.566
bonds (distance) P-C4' energy: -9.765
flat angles C4'-P-C4' energy: -8.766
flat angles P-C4'-P energy: -7.134
tors. eta vs tors. theta energy: -0.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -143.765856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.765856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.765856 (E_RNA)
where:
Base-Base interactions energy: -81.413
where: short stacking energy: -54.248
Base-Backbone interact. energy: -0.235
local terms energy: -62.117986
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -7.170
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: 2, replica: 10
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -132.087989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.087989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.087989 (E_RNA)
where:
Base-Base interactions energy: -73.839
where: short stacking energy: -43.756
Base-Backbone interact. energy: 1.485
local terms energy: -59.734378
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -10.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -112.444441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.444441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.444441 (E_RNA)
where:
Base-Base interactions energy: -59.857
where: short stacking energy: -34.746
Base-Backbone interact. energy: 0.148
local terms energy: -52.735192
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -12.382
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -4.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -124.883827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.883827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.883827 (E_RNA)
where:
Base-Base interactions energy: -71.996
where: short stacking energy: -41.343
Base-Backbone interact. energy: -0.002
local terms energy: -52.886629
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -9.363
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -10.687
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: 5
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -97.261837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.261837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.261837 (E_RNA)
where:
Base-Base interactions energy: -44.598
where: short stacking energy: -41.815
Base-Backbone interact. energy: -0.000
local terms energy: -52.663211
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -6.487
tors. eta vs tors. theta energy: -8.558
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: 6, replica: 6
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -88.524429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.524429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.524429 (E_RNA)
where:
Base-Base interactions energy: -33.007
where: short stacking energy: -33.007
Base-Backbone interact. energy: -0.001
local terms energy: -55.516589
where:
bonds (distance) C4'-P energy: -10.677
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -10.843
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -12.134
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: 9
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -70.051839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.051839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.051839 (E_RNA)
where:
Base-Base interactions energy: -23.110
where: short stacking energy: -23.110
Base-Backbone interact. energy: -0.207
local terms energy: -46.734860
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -9.817
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -3.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -89.364761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.364761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.364761 (E_RNA)
where:
Base-Base interactions energy: -44.692
where: short stacking energy: -28.567
Base-Backbone interact. energy: -0.000
local terms energy: -44.672825
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -12.213
flat angles C4'-P-C4' energy: -10.475
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -1.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -69.194553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.194553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.194553 (E_RNA)
where:
Base-Base interactions energy: -24.078
where: short stacking energy: -24.078
Base-Backbone interact. energy: -0.210
local terms energy: -44.906260
where:
bonds (distance) C4'-P energy: -10.305
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -8.132
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -4.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -56.540949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.540949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.540949 (E_RNA)
where:
Base-Base interactions energy: -21.418
where: short stacking energy: -19.210
Base-Backbone interact. energy: -0.055
local terms energy: -35.067358
where:
bonds (distance) C4'-P energy: -7.920
bonds (distance) P-C4' energy: -10.584
flat angles C4'-P-C4' energy: -10.073
flat angles P-C4'-P energy: -5.555
tors. eta vs tors. theta energy: -0.936
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: 351
Temperature: 0.900000
Total energy: -137.076404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.076404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.076404 (E_RNA)
where:
Base-Base interactions energy: -79.344
where: short stacking energy: -47.975
Base-Backbone interact. energy: 0.034
local terms energy: -57.766242
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -10.300
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -13.502
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: 8
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -128.976754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.976754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.976754 (E_RNA)
where:
Base-Base interactions energy: -69.287
where: short stacking energy: -43.770
Base-Backbone interact. energy: -0.025
local terms energy: -59.664551
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -5.916
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: 3, replica: 10
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -113.436835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.436835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.436835 (E_RNA)
where:
Base-Base interactions energy: -63.107
where: short stacking energy: -32.251
Base-Backbone interact. energy: -0.054
local terms energy: -50.276290
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -10.006
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -6.514
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: 1
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -119.324843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.324843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.324843 (E_RNA)
where:
Base-Base interactions energy: -64.242
where: short stacking energy: -42.436
Base-Backbone interact. energy: -0.118
local terms energy: -54.964649
where:
bonds (distance) C4'-P energy: -9.861
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -11.186
flat angles P-C4'-P energy: -7.834
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: 5
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -70.379685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.379685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.379685 (E_RNA)
where:
Base-Base interactions energy: -31.030
where: short stacking energy: -31.030
Base-Backbone interact. energy: 0.250
local terms energy: -39.599979
where:
bonds (distance) C4'-P energy: -8.902
bonds (distance) P-C4' energy: -9.609
flat angles C4'-P-C4' energy: -9.195
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -2.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -73.555691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.555691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.555691 (E_RNA)
where:
Base-Base interactions energy: -37.196
where: short stacking energy: -26.686
Base-Backbone interact. energy: -0.110
local terms energy: -36.250559
where:
bonds (distance) C4'-P energy: -11.430
bonds (distance) P-C4' energy: -6.929
flat angles C4'-P-C4' energy: -10.909
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -0.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -85.233804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.233804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.233804 (E_RNA)
where:
Base-Base interactions energy: -34.610
where: short stacking energy: -33.936
Base-Backbone interact. energy: -0.097
local terms energy: -50.526181
where:
bonds (distance) C4'-P energy: -10.304
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -10.825
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -9.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -77.432761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.432761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.432761 (E_RNA)
where:
Base-Base interactions energy: -26.284
where: short stacking energy: -26.284
Base-Backbone interact. energy: -0.005
local terms energy: -51.143633
where:
bonds (distance) C4'-P energy: -11.108
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -10.601
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -9.065
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: 9, replica: 7
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -60.585909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.585909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.585909 (E_RNA)
where:
Base-Base interactions energy: -23.601
where: short stacking energy: -23.601
Base-Backbone interact. energy: -0.061
local terms energy: -36.923768
where:
bonds (distance) C4'-P energy: -6.877
bonds (distance) P-C4' energy: -11.655
flat angles C4'-P-C4' energy: -9.991
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -1.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -61.984575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.984575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.984575 (E_RNA)
where:
Base-Base interactions energy: -18.852
where: short stacking energy: -18.852
Base-Backbone interact. energy: -0.005
local terms energy: -43.127339
where:
bonds (distance) C4'-P energy: -8.048
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -9.568
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -135.235421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.235421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.235421 (E_RNA)
where:
Base-Base interactions energy: -76.057
where: short stacking energy: -51.485
Base-Backbone interact. energy: -0.000
local terms energy: -59.177577
where:
bonds (distance) C4'-P energy: -10.735
bonds (distance) P-C4' energy: -11.435
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -14.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -135.091683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.091683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.091683 (E_RNA)
where:
Base-Base interactions energy: -77.015
where: short stacking energy: -48.943
Base-Backbone interact. energy: -0.010
local terms energy: -58.066926
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -5.564
tors. eta vs tors. theta energy: -13.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -122.061117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.061117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.061117 (E_RNA)
where:
Base-Base interactions energy: -70.366
where: short stacking energy: -36.234
Base-Backbone interact. energy: -0.159
local terms energy: -51.535465
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -12.227
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -7.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -109.078466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.078466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.078466 (E_RNA)
where:
Base-Base interactions energy: -62.311
where: short stacking energy: -34.868
Base-Backbone interact. energy: -0.029
local terms energy: -46.738353
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -10.369
flat angles C4'-P-C4' energy: -9.075
flat angles P-C4'-P energy: -7.206
tors. eta vs tors. theta energy: -8.769
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: 9
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -80.237801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.237801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.237801 (E_RNA)
where:
Base-Base interactions energy: -30.435
where: short stacking energy: -30.435
Base-Backbone interact. energy: -0.030
local terms energy: -49.773340
where:
bonds (distance) C4'-P energy: -8.769
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -6.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -83.196226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.196226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.196226 (E_RNA)
where:
Base-Base interactions energy: -40.843
where: short stacking energy: -40.843
Base-Backbone interact. energy: -0.157
local terms energy: -42.196037
where:
bonds (distance) C4'-P energy: -9.029
bonds (distance) P-C4' energy: -8.922
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -4.022
tors. eta vs tors. theta energy: -8.237
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: 6
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -78.304997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.304997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.304997 (E_RNA)
where:
Base-Base interactions energy: -29.376
where: short stacking energy: -15.219
Base-Backbone interact. energy: 1.693
local terms energy: -50.621854
where:
bonds (distance) C4'-P energy: -11.476
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -6.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -62.778331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.778331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.778331 (E_RNA)
where:
Base-Base interactions energy: -24.266
where: short stacking energy: -22.282
Base-Backbone interact. energy: 0.082
local terms energy: -38.594138
where:
bonds (distance) C4'-P energy: -10.752
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -7.688
flat angles P-C4'-P energy: -6.634
tors. eta vs tors. theta energy: -0.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -73.044381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.044381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.044381 (E_RNA)
where:
Base-Base interactions energy: -26.777
where: short stacking energy: -26.777
Base-Backbone interact. energy: 0.619
local terms energy: -46.885718
where:
bonds (distance) C4'-P energy: -8.053
bonds (distance) P-C4' energy: -10.713
flat angles C4'-P-C4' energy: -10.028
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -9.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -56.832444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.832444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.832444 (E_RNA)
where:
Base-Base interactions energy: -20.291
where: short stacking energy: -20.291
Base-Backbone interact. energy: -0.082
local terms energy: -36.458981
where:
bonds (distance) C4'-P energy: -8.745
bonds (distance) P-C4' energy: -9.947
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -5.827
tors. eta vs tors. theta energy: 0.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -138.466580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.466580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.466580 (E_RNA)
where:
Base-Base interactions energy: -79.746
where: short stacking energy: -46.542
Base-Backbone interact. energy: -0.011
local terms energy: -58.709308
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -8.193
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -14.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -124.630577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.630577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.630577 (E_RNA)
where:
Base-Base interactions energy: -71.410
where: short stacking energy: -45.572
Base-Backbone interact. energy: -0.002
local terms energy: -53.218756
where:
bonds (distance) C4'-P energy: -9.614
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -8.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -136.816385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.816385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.816385 (E_RNA)
where:
Base-Base interactions energy: -83.437
where: short stacking energy: -51.818
Base-Backbone interact. energy: 0.610
local terms energy: -53.989357
where:
bonds (distance) C4'-P energy: -12.092
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -9.827
flat angles P-C4'-P energy: -3.504
tors. eta vs tors. theta energy: -14.804
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: 4, replica: 10
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -125.122849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.122849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.122849 (E_RNA)
where:
Base-Base interactions energy: -73.497
where: short stacking energy: -46.028
Base-Backbone interact. energy: -0.059
local terms energy: -51.566245
where:
bonds (distance) C4'-P energy: -11.071
bonds (distance) P-C4' energy: -10.461
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -5.679
tors. eta vs tors. theta energy: -11.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -81.930675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.930675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.930675 (E_RNA)
where:
Base-Base interactions energy: -36.637
where: short stacking energy: -35.671
Base-Backbone interact. energy: -0.021
local terms energy: -45.272882
where:
bonds (distance) C4'-P energy: -8.923
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -10.293
flat angles P-C4'-P energy: -3.873
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: 6, replica: 5
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -78.206481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.206481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.206481 (E_RNA)
where:
Base-Base interactions energy: -32.995
where: short stacking energy: -32.995
Base-Backbone interact. energy: 0.861
local terms energy: -46.072472
where:
bonds (distance) C4'-P energy: -8.438
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -10.630
flat angles P-C4'-P energy: -4.858
tors. eta vs tors. theta energy: -10.401
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: 6
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -69.798369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.798369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.798369 (E_RNA)
where:
Base-Base interactions energy: -31.748
where: short stacking energy: -24.846
Base-Backbone interact. energy: -0.369
local terms energy: -37.681597
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -11.244
flat angles C4'-P-C4' energy: -6.271
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -3.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -78.355523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.355523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.355523 (E_RNA)
where:
Base-Base interactions energy: -29.054
where: short stacking energy: -29.054
Base-Backbone interact. energy: -0.114
local terms energy: -49.187941
where:
bonds (distance) C4'-P energy: -10.084
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -9.873
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -8.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -62.989565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.989565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.989565 (E_RNA)
where:
Base-Base interactions energy: -17.209
where: short stacking energy: -17.209
Base-Backbone interact. energy: -0.165
local terms energy: -45.616003
where:
bonds (distance) C4'-P energy: -9.882
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: -4.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -63.860703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.860703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.860703 (E_RNA)
where:
Base-Base interactions energy: -21.615
where: short stacking energy: -18.159
Base-Backbone interact. energy: -0.119
local terms energy: -42.126154
where:
bonds (distance) C4'-P energy: -9.075
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -9.291
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -2.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -135.122253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.122253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.122253 (E_RNA)
where:
Base-Base interactions energy: -82.861
where: short stacking energy: -51.025
Base-Backbone interact. energy: -0.021
local terms energy: -52.240640
where:
bonds (distance) C4'-P energy: -8.732
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -6.731
tors. eta vs tors. theta energy: -12.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -136.508263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.508263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.508263 (E_RNA)
where:
Base-Base interactions energy: -75.441
where: short stacking energy: -47.556
Base-Backbone interact. energy: -0.308
local terms energy: -60.759701
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -9.143
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -16.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -128.631593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.631593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.631593 (E_RNA)
where:
Base-Base interactions energy: -71.674
where: short stacking energy: -47.808
Base-Backbone interact. energy: -0.013
local terms energy: -56.944686
where:
bonds (distance) C4'-P energy: -9.294
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -10.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -122.315404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.315404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.315404 (E_RNA)
where:
Base-Base interactions energy: -66.268
where: short stacking energy: -37.021
Base-Backbone interact. energy: -0.008
local terms energy: -56.039479
where:
bonds (distance) C4'-P energy: -11.936
bonds (distance) P-C4' energy: -12.041
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -8.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -79.426363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.426363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.426363 (E_RNA)
where:
Base-Base interactions energy: -37.334
where: short stacking energy: -37.334
Base-Backbone interact. energy: -0.116
local terms energy: -41.975944
where:
bonds (distance) C4'-P energy: -9.187
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -7.154
flat angles P-C4'-P energy: -6.255
tors. eta vs tors. theta energy: -6.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -73.307463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.307463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.307463 (E_RNA)
where:
Base-Base interactions energy: -36.434
where: short stacking energy: -30.621
Base-Backbone interact. energy: -0.032
local terms energy: -36.841758
where:
bonds (distance) C4'-P energy: -6.519
bonds (distance) P-C4' energy: -9.753
flat angles C4'-P-C4' energy: -8.981
flat angles P-C4'-P energy: -7.330
tors. eta vs tors. theta energy: -4.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -72.011084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.011084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.011084 (E_RNA)
where:
Base-Base interactions energy: -27.423
where: short stacking energy: -27.423
Base-Backbone interact. energy: -0.089
local terms energy: -44.499456
where:
bonds (distance) C4'-P energy: -11.265
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -9.143
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -4.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -65.261375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.261375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.261375 (E_RNA)
where:
Base-Base interactions energy: -24.005
where: short stacking energy: -19.633
Base-Backbone interact. energy: -0.113
local terms energy: -41.143227
where:
bonds (distance) C4'-P energy: -11.021
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -3.645
tors. eta vs tors. theta energy: -1.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -69.727131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.727131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.727131 (E_RNA)
where:
Base-Base interactions energy: -29.948
where: short stacking energy: -28.592
Base-Backbone interact. energy: -0.064
local terms energy: -39.714740
where:
bonds (distance) C4'-P energy: -11.119
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -8.998
flat angles P-C4'-P energy: -5.152
tors. eta vs tors. theta energy: -0.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -58.969922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.969922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.969922 (E_RNA)
where:
Base-Base interactions energy: -17.480
where: short stacking energy: -17.480
Base-Backbone interact. energy: -0.626
local terms energy: -40.863886
where:
bonds (distance) C4'-P energy: -10.577
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -9.427
flat angles P-C4'-P energy: -6.421
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: 1, replica: 1
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -131.763158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.763158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.763158 (E_RNA)
where:
Base-Base interactions energy: -78.261
where: short stacking energy: -46.556
Base-Backbone interact. energy: -0.057
local terms energy: -53.445242
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -8.712
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -7.398
tors. eta vs tors. theta energy: -11.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -125.291035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.291035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.291035 (E_RNA)
where:
Base-Base interactions energy: -72.767
where: short stacking energy: -42.903
Base-Backbone interact. energy: -0.048
local terms energy: -52.475633
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -10.298
flat angles C4'-P-C4' energy: -8.459
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: -13.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -135.494483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.494483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.494483 (E_RNA)
where:
Base-Base interactions energy: -83.629
where: short stacking energy: -47.340
Base-Backbone interact. energy: -0.005
local terms energy: -51.860766
where:
bonds (distance) C4'-P energy: -9.834
bonds (distance) P-C4' energy: -11.159
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -6.304
tors. eta vs tors. theta energy: -12.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -93.119397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.119397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.119397 (E_RNA)
where:
Base-Base interactions energy: -36.039
where: short stacking energy: -36.039
Base-Backbone interact. energy: -0.057
local terms energy: -57.024061
where:
bonds (distance) C4'-P energy: -10.537
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -8.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -122.001011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.001011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.001011 (E_RNA)
where:
Base-Base interactions energy: -69.370
where: short stacking energy: -43.056
Base-Backbone interact. energy: -0.025
local terms energy: -52.606679
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -5.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -72.613254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.613254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.613254 (E_RNA)
where:
Base-Base interactions energy: -25.462
where: short stacking energy: -25.462
Base-Backbone interact. energy: -0.021
local terms energy: -47.130708
where:
bonds (distance) C4'-P energy: -10.652
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -9.948
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -6.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -82.467752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.467752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.467752 (E_RNA)
where:
Base-Base interactions energy: -34.119
where: short stacking energy: -34.119
Base-Backbone interact. energy: 0.448
local terms energy: -48.796526
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -9.147
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -3.021
tors. eta vs tors. theta energy: -11.304
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: 8, replica: 7
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -64.691022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.691022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.691022 (E_RNA)
where:
Base-Base interactions energy: -25.813
where: short stacking energy: -25.813
Base-Backbone interact. energy: 0.401
local terms energy: -39.279748
where:
bonds (distance) C4'-P energy: -9.241
bonds (distance) P-C4' energy: -10.595
flat angles C4'-P-C4' energy: -8.311
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: -4.610
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: 6
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -65.227520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.227520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.227520 (E_RNA)
where:
Base-Base interactions energy: -17.437
where: short stacking energy: -17.437
Base-Backbone interact. energy: 0.829
local terms energy: -48.619548
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -10.658
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -1.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -65.635219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.635219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.635219 (E_RNA)
where:
Base-Base interactions energy: -21.857
where: short stacking energy: -21.857
Base-Backbone interact. energy: -0.044
local terms energy: -43.734200
where:
bonds (distance) C4'-P energy: -10.358
bonds (distance) P-C4' energy: -10.203
flat angles C4'-P-C4' energy: -10.274
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -5.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -144.929839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.929839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.929839 (E_RNA)
where:
Base-Base interactions energy: -82.546
where: short stacking energy: -48.140
Base-Backbone interact. energy: -0.001
local terms energy: -62.382774
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -11.176
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: -17.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -118.249551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.249551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.249551 (E_RNA)
where:
Base-Base interactions energy: -70.223
where: short stacking energy: -37.513
Base-Backbone interact. energy: -0.022
local terms energy: -48.004000
where:
bonds (distance) C4'-P energy: -10.951
bonds (distance) P-C4' energy: -10.138
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -6.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -138.209532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.209532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.209532 (E_RNA)
where:
Base-Base interactions energy: -80.470
where: short stacking energy: -40.346
Base-Backbone interact. energy: -0.075
local terms energy: -57.664779
where:
bonds (distance) C4'-P energy: -10.752
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -12.170
flat angles P-C4'-P energy: -9.872
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: 4, replica: 5
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -101.586101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.586101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.586101 (E_RNA)
where:
Base-Base interactions energy: -48.427
where: short stacking energy: -48.427
Base-Backbone interact. energy: -0.010
local terms energy: -53.149695
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -11.684
flat angles P-C4'-P energy: -5.216
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: 5, replica: 4
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -117.357085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.357085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.357085 (E_RNA)
where:
Base-Base interactions energy: -62.116
where: short stacking energy: -42.365
Base-Backbone interact. energy: -0.002
local terms energy: -55.238823
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -8.987
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -11.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -74.487109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.487109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.487109 (E_RNA)
where:
Base-Base interactions energy: -28.289
where: short stacking energy: -28.289
Base-Backbone interact. energy: -0.275
local terms energy: -45.923286
where:
bonds (distance) C4'-P energy: -11.625
bonds (distance) P-C4' energy: -11.211
flat angles C4'-P-C4' energy: -10.505
flat angles P-C4'-P energy: -8.289
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: 7, replica: 9
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -71.715151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.715151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.715151 (E_RNA)
where:
Base-Base interactions energy: -24.989
where: short stacking energy: -24.989
Base-Backbone interact. energy: -0.016
local terms energy: -46.710597
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -8.386
flat angles C4'-P-C4' energy: -8.740
flat angles P-C4'-P energy: -6.728
tors. eta vs tors. theta energy: -11.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -68.624643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.624643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.624643 (E_RNA)
where:
Base-Base interactions energy: -29.290
where: short stacking energy: -29.290
Base-Backbone interact. energy: -0.125
local terms energy: -39.209946
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -11.181
flat angles C4'-P-C4' energy: -5.259
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -4.504
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: 3
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -61.315998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.315998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.315998 (E_RNA)
where:
Base-Base interactions energy: -22.837
where: short stacking energy: -22.837
Base-Backbone interact. energy: -0.114
local terms energy: -38.364563
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -10.744
flat angles P-C4'-P energy: -1.466
tors. eta vs tors. theta energy: -1.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -60.574738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.574738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.574738 (E_RNA)
where:
Base-Base interactions energy: -25.526
where: short stacking energy: -22.800
Base-Backbone interact. energy: -0.070
local terms energy: -34.977969
where:
bonds (distance) C4'-P energy: -9.518
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -7.189
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: 4.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -145.455043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.455043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.455043 (E_RNA)
where:
Base-Base interactions energy: -87.595
where: short stacking energy: -50.046
Base-Backbone interact. energy: -0.097
local terms energy: -57.762096
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -6.321
tors. eta vs tors. theta energy: -14.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -130.673566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.673566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.673566 (E_RNA)
where:
Base-Base interactions energy: -72.612
where: short stacking energy: -41.234
Base-Backbone interact. energy: 0.086
local terms energy: -58.148178
where:
bonds (distance) C4'-P energy: -8.334
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -12.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -117.868409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.868409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.868409 (E_RNA)
where:
Base-Base interactions energy: -69.305
where: short stacking energy: -36.076
Base-Backbone interact. energy: -0.100
local terms energy: -48.463448
where:
bonds (distance) C4'-P energy: -9.664
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -6.026
tors. eta vs tors. theta energy: -7.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -112.509618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.509618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.509618 (E_RNA)
where:
Base-Base interactions energy: -62.284
where: short stacking energy: -37.327
Base-Backbone interact. energy: -0.018
local terms energy: -50.207502
where:
bonds (distance) C4'-P energy: -8.165
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -9.794
flat angles P-C4'-P energy: -8.044
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: 5, replica: 5
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -91.370049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.370049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.370049 (E_RNA)
where:
Base-Base interactions energy: -38.553
where: short stacking energy: -38.553
Base-Backbone interact. energy: -0.002
local terms energy: -52.815866
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -8.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -81.345589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.345589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.345589 (E_RNA)
where:
Base-Base interactions energy: -35.070
where: short stacking energy: -35.070
Base-Backbone interact. energy: -0.034
local terms energy: -46.241341
where:
bonds (distance) C4'-P energy: -10.653
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -11.123
flat angles P-C4'-P energy: -3.823
tors. eta vs tors. theta energy: -8.697
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: 2
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -83.804165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.804165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.804165 (E_RNA)
where:
Base-Base interactions energy: -33.747
where: short stacking energy: -33.747
Base-Backbone interact. energy: -0.071
local terms energy: -49.986843
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -12.675
flat angles C4'-P-C4' energy: -10.614
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -7.842
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: 3
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -76.868014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.868014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.868014 (E_RNA)
where:
Base-Base interactions energy: -30.518
where: short stacking energy: -29.577
Base-Backbone interact. energy: -0.025
local terms energy: -46.324633
where:
bonds (distance) C4'-P energy: -9.650
bonds (distance) P-C4' energy: -7.827
flat angles C4'-P-C4' energy: -10.439
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -8.648
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: 7
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -58.577331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.577331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.577331 (E_RNA)
where:
Base-Base interactions energy: -24.597
where: short stacking energy: -24.597
Base-Backbone interact. energy: -0.125
local terms energy: -33.855005
where:
bonds (distance) C4'-P energy: -10.142
bonds (distance) P-C4' energy: -11.657
flat angles C4'-P-C4' energy: -3.904
flat angles P-C4'-P energy: -4.896
tors. eta vs tors. theta energy: -3.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -66.653987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.653987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.653987 (E_RNA)
where:
Base-Base interactions energy: -25.171
where: short stacking energy: -25.171
Base-Backbone interact. energy: -0.199
local terms energy: -41.283426
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -10.770
flat angles C4'-P-C4' energy: -9.627
flat angles P-C4'-P energy: -6.168
tors. eta vs tors. theta energy: -2.777
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: 8
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -134.032339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.032339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.032339 (E_RNA)
where:
Base-Base interactions energy: -82.710
where: short stacking energy: -47.866
Base-Backbone interact. energy: -0.178
local terms energy: -51.144235
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -10.578
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -6.555
tors. eta vs tors. theta energy: -9.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -140.530659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.530659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.530659 (E_RNA)
where:
Base-Base interactions energy: -80.696
where: short stacking energy: -48.978
Base-Backbone interact. energy: -0.001
local terms energy: -59.833760
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -13.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -121.373660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.373660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.373660 (E_RNA)
where:
Base-Base interactions energy: -70.403
where: short stacking energy: -44.857
Base-Backbone interact. energy: -0.193
local terms energy: -50.777896
where:
bonds (distance) C4'-P energy: -5.917
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -12.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -106.598088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.598088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.598088 (E_RNA)
where:
Base-Base interactions energy: -62.608
where: short stacking energy: -36.585
Base-Backbone interact. energy: -0.017
local terms energy: -43.973307
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -8.491
flat angles P-C4'-P energy: -3.454
tors. eta vs tors. theta energy: -7.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -91.003865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.003865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.003865 (E_RNA)
where:
Base-Base interactions energy: -45.595
where: short stacking energy: -42.582
Base-Backbone interact. energy: -0.105
local terms energy: -45.303508
where:
bonds (distance) C4'-P energy: -10.768
bonds (distance) P-C4' energy: -5.713
flat angles C4'-P-C4' energy: -10.456
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -10.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -106.479351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.479351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.479351 (E_RNA)
where:
Base-Base interactions energy: -60.828
where: short stacking energy: -33.710
Base-Backbone interact. energy: -0.338
local terms energy: -45.313218
where:
bonds (distance) C4'-P energy: -6.358
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -10.670
flat angles P-C4'-P energy: -7.013
tors. eta vs tors. theta energy: -8.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -81.159818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.159818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.159818 (E_RNA)
where:
Base-Base interactions energy: -30.232
where: short stacking energy: -28.807
Base-Backbone interact. energy: -0.078
local terms energy: -50.850323
where:
bonds (distance) C4'-P energy: -11.112
bonds (distance) P-C4' energy: -12.776
flat angles C4'-P-C4' energy: -9.422
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -10.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -69.892866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.892866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.892866 (E_RNA)
where:
Base-Base interactions energy: -29.504
where: short stacking energy: -16.326
Base-Backbone interact. energy: -0.291
local terms energy: -40.098080
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -8.988
flat angles P-C4'-P energy: -4.262
tors. eta vs tors. theta energy: -2.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -65.166227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.166227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.166227 (E_RNA)
where:
Base-Base interactions energy: -26.417
where: short stacking energy: -11.184
Base-Backbone interact. energy: -0.361
local terms energy: -38.388622
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -4.611
tors. eta vs tors. theta energy: 1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -56.902305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.902305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.902305 (E_RNA)
where:
Base-Base interactions energy: -20.104
where: short stacking energy: -20.104
Base-Backbone interact. energy: -0.010
local terms energy: -36.787567
where:
bonds (distance) C4'-P energy: -9.215
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -7.828
flat angles P-C4'-P energy: -6.757
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: 8
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -139.433485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.433485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.433485 (E_RNA)
where:
Base-Base interactions energy: -83.260
where: short stacking energy: -48.306
Base-Backbone interact. energy: -0.019
local terms energy: -56.154343
where:
bonds (distance) C4'-P energy: -12.862
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -10.968
flat angles P-C4'-P energy: -5.162
tors. eta vs tors. theta energy: -13.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -125.894390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.894390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.894390 (E_RNA)
where:
Base-Base interactions energy: -75.095
where: short stacking energy: -42.643
Base-Backbone interact. energy: -0.090
local terms energy: -50.708923
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -10.045
flat angles P-C4'-P energy: -3.416
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: 3, replica: 1
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -134.678189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.678189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.678189 (E_RNA)
where:
Base-Base interactions energy: -78.769
where: short stacking energy: -46.068
Base-Backbone interact. energy: -0.004
local terms energy: -55.905114
where:
bonds (distance) C4'-P energy: -11.580
bonds (distance) P-C4' energy: -9.115
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -12.292
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: 9
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -94.060186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.060186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.060186 (E_RNA)
where:
Base-Base interactions energy: -46.840
where: short stacking energy: -43.833
Base-Backbone interact. energy: -0.091
local terms energy: -47.128830
where:
bonds (distance) C4'-P energy: -6.968
bonds (distance) P-C4' energy: -10.000
flat angles C4'-P-C4' energy: -11.027
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -10.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -106.440140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.440140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.440140 (E_RNA)
where:
Base-Base interactions energy: -62.478
where: short stacking energy: -33.294
Base-Backbone interact. energy: -0.082
local terms energy: -43.880300
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -9.666
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -4.295
tors. eta vs tors. theta energy: -6.043
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: 5
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -108.434631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.434631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.434631 (E_RNA)
where:
Base-Base interactions energy: -65.357
where: short stacking energy: -35.746
Base-Backbone interact. energy: -0.108
local terms energy: -42.969340
where:
bonds (distance) C4'-P energy: -8.909
bonds (distance) P-C4' energy: -9.912
flat angles C4'-P-C4' energy: -11.019
flat angles P-C4'-P energy: -2.276
tors. eta vs tors. theta energy: -10.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -75.853992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.853992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.853992 (E_RNA)
where:
Base-Base interactions energy: -32.293
where: short stacking energy: -32.293
Base-Backbone interact. energy: -0.000
local terms energy: -43.560956
where:
bonds (distance) C4'-P energy: -9.700
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -9.542
flat angles P-C4'-P energy: -4.788
tors. eta vs tors. theta energy: -7.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -64.220721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.220721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.220721 (E_RNA)
where:
Base-Base interactions energy: -24.931
where: short stacking energy: -21.066
Base-Backbone interact. energy: -0.094
local terms energy: -39.195693
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -8.870
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -0.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -64.589456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.589456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.589456 (E_RNA)
where:
Base-Base interactions energy: -23.096
where: short stacking energy: -23.096
Base-Backbone interact. energy: -0.141
local terms energy: -41.352647
where:
bonds (distance) C4'-P energy: -12.263
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -11.042
flat angles P-C4'-P energy: -4.977
tors. eta vs tors. theta energy: 0.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -63.343842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.343842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.343842 (E_RNA)
where:
Base-Base interactions energy: -18.021
where: short stacking energy: -18.021
Base-Backbone interact. energy: -0.014
local terms energy: -45.308244
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -8.552
flat angles P-C4'-P energy: -6.417
tors. eta vs tors. theta energy: -4.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -142.540231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.540231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.540231 (E_RNA)
where:
Base-Base interactions energy: -86.149
where: short stacking energy: -52.804
Base-Backbone interact. energy: -0.014
local terms energy: -56.377267
where:
bonds (distance) C4'-P energy: -8.909
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -7.197
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: 2, replica: 10
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -138.751141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.751141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.751141 (E_RNA)
where:
Base-Base interactions energy: -88.916
where: short stacking energy: -49.426
Base-Backbone interact. energy: -0.002
local terms energy: -49.832526
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -8.957
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -6.796
tors. eta vs tors. theta energy: -12.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -124.512001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.512001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.512001 (E_RNA)
where:
Base-Base interactions energy: -72.896
where: short stacking energy: -41.948
Base-Backbone interact. energy: -0.196
local terms energy: -51.419779
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -9.495
flat angles C4'-P-C4' energy: -11.326
flat angles P-C4'-P energy: -6.820
tors. eta vs tors. theta energy: -12.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -88.887387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.887387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.887387 (E_RNA)
where:
Base-Base interactions energy: -39.016
where: short stacking energy: -39.016
Base-Backbone interact. energy: -0.093
local terms energy: -49.778540
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -9.605
flat angles P-C4'-P energy: -6.316
tors. eta vs tors. theta energy: -10.572
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: 5
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -113.478314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.478314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.478314 (E_RNA)
where:
Base-Base interactions energy: -67.621
where: short stacking energy: -39.363
Base-Backbone interact. energy: -0.040
local terms energy: -45.817405
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -5.799
flat angles C4'-P-C4' energy: -9.488
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -9.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -112.046739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.046739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.046739 (E_RNA)
where:
Base-Base interactions energy: -63.036
where: short stacking energy: -32.799
Base-Backbone interact. energy: -0.081
local terms energy: -48.929656
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -11.186
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -7.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -68.529154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.529154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.529154 (E_RNA)
where:
Base-Base interactions energy: -28.795
where: short stacking energy: -28.795
Base-Backbone interact. energy: -0.728
local terms energy: -39.005591
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -9.838
flat angles C4'-P-C4' energy: -6.952
flat angles P-C4'-P energy: -4.760
tors. eta vs tors. theta energy: -4.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -76.948239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.948239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.948239 (E_RNA)
where:
Base-Base interactions energy: -38.721
where: short stacking energy: -34.423
Base-Backbone interact. energy: -0.148
local terms energy: -38.079495
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -6.417
flat angles P-C4'-P energy: -2.087
tors. eta vs tors. theta energy: -7.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -67.882081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.882081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.882081 (E_RNA)
where:
Base-Base interactions energy: -23.099
where: short stacking energy: -21.439
Base-Backbone interact. energy: -0.343
local terms energy: -44.439904
where:
bonds (distance) C4'-P energy: -8.387
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -1.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -64.426920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.426920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.426920 (E_RNA)
where:
Base-Base interactions energy: -23.320
where: short stacking energy: -23.320
Base-Backbone interact. energy: -0.101
local terms energy: -41.006301
where:
bonds (distance) C4'-P energy: -8.732
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -10.533
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -2.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -135.814230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.814230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.814230 (E_RNA)
where:
Base-Base interactions energy: -75.920
where: short stacking energy: -47.997
Base-Backbone interact. energy: -0.102
local terms energy: -59.792125
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -4.983
tors. eta vs tors. theta energy: -14.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -123.212163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.212163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.212163 (E_RNA)
where:
Base-Base interactions energy: -72.163
where: short stacking energy: -47.417
Base-Backbone interact. energy: -0.052
local terms energy: -50.996419
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -9.982
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: 10
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -123.490117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.490117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.490117 (E_RNA)
where:
Base-Base interactions energy: -69.963
where: short stacking energy: -44.438
Base-Backbone interact. energy: -0.225
local terms energy: -53.301980
where:
bonds (distance) C4'-P energy: -9.605
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -9.651
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -12.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -103.608209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.608209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.608209 (E_RNA)
where:
Base-Base interactions energy: -46.451
where: short stacking energy: -46.451
Base-Backbone interact. energy: -0.101
local terms energy: -57.056277
where:
bonds (distance) C4'-P energy: -9.948
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -11.380
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -13.290
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: 361
Temperature: 1.100000
Total energy: -85.898788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.898788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.898788 (E_RNA)
where:
Base-Base interactions energy: -32.360
where: short stacking energy: -32.360
Base-Backbone interact. energy: -0.000
local terms energy: -53.538954
where:
bonds (distance) C4'-P energy: -9.860
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -6.854
tors. eta vs tors. theta energy: -10.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -97.056305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.056305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.056305 (E_RNA)
where:
Base-Base interactions energy: -53.410
where: short stacking energy: -31.545
Base-Backbone interact. energy: -0.024
local terms energy: -43.621985
where:
bonds (distance) C4'-P energy: -7.415
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -7.757
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -7.682
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: 6
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -70.668069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.668069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.668069 (E_RNA)
where:
Base-Base interactions energy: -23.920
where: short stacking energy: -23.920
Base-Backbone interact. energy: -0.188
local terms energy: -46.560671
where:
bonds (distance) C4'-P energy: -10.143
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -12.447
flat angles P-C4'-P energy: -5.566
tors. eta vs tors. theta energy: -4.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -76.080512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.080512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.080512 (E_RNA)
where:
Base-Base interactions energy: -29.939
where: short stacking energy: -27.761
Base-Backbone interact. energy: -0.250
local terms energy: -45.891207
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -11.504
flat angles C4'-P-C4' energy: -10.746
flat angles P-C4'-P energy: -4.968
tors. eta vs tors. theta energy: -6.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -66.676846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.676846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.676846 (E_RNA)
where:
Base-Base interactions energy: -28.267
where: short stacking energy: -28.267
Base-Backbone interact. energy: -0.160
local terms energy: -38.250352
where:
bonds (distance) C4'-P energy: -6.868
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -4.606
tors. eta vs tors. theta energy: -2.304
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: 3
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -63.284384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.284384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.284384 (E_RNA)
where:
Base-Base interactions energy: -20.604
where: short stacking energy: -20.537
Base-Backbone interact. energy: -0.066
local terms energy: -42.614602
where:
bonds (distance) C4'-P energy: -8.324
bonds (distance) P-C4' energy: -11.816
flat angles C4'-P-C4' energy: -9.826
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -4.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -138.970829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.970829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.970829 (E_RNA)
where:
Base-Base interactions energy: -85.295
where: short stacking energy: -51.591
Base-Backbone interact. energy: -0.005
local terms energy: -53.670474
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -10.390
flat angles C4'-P-C4' energy: -10.589
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -11.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -125.541241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.541241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.541241 (E_RNA)
where:
Base-Base interactions energy: -75.576
where: short stacking energy: -41.079
Base-Backbone interact. energy: -0.273
local terms energy: -49.691449
where:
bonds (distance) C4'-P energy: -11.074
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -11.662
flat angles P-C4'-P energy: -3.221
tors. eta vs tors. theta energy: -12.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -126.484398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.484398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.484398 (E_RNA)
where:
Base-Base interactions energy: -71.725
where: short stacking energy: -37.568
Base-Backbone interact. energy: -0.029
local terms energy: -54.730548
where:
bonds (distance) C4'-P energy: -13.799
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -5.284
tors. eta vs tors. theta energy: -10.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -84.568123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.568123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.568123 (E_RNA)
where:
Base-Base interactions energy: -36.298
where: short stacking energy: -36.298
Base-Backbone interact. energy: -0.027
local terms energy: -48.242842
where:
bonds (distance) C4'-P energy: -8.731
bonds (distance) P-C4' energy: -11.626
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -4.589
tors. eta vs tors. theta energy: -10.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -80.075559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.075559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.075559 (E_RNA)
where:
Base-Base interactions energy: -31.506
where: short stacking energy: -31.506
Base-Backbone interact. energy: -0.069
local terms energy: -48.500276
where:
bonds (distance) C4'-P energy: -10.180
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -4.033
tors. eta vs tors. theta energy: -7.178
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: 5
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -84.375537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.375537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.375537 (E_RNA)
where:
Base-Base interactions energy: -42.520
where: short stacking energy: -26.903
Base-Backbone interact. energy: -0.145
local terms energy: -41.710469
where:
bonds (distance) C4'-P energy: -9.894
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -11.358
flat angles P-C4'-P energy: -0.938
tors. eta vs tors. theta energy: -6.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -69.533039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.533039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.533039 (E_RNA)
where:
Base-Base interactions energy: -27.379
where: short stacking energy: -27.379
Base-Backbone interact. energy: -0.040
local terms energy: -42.114004
where:
bonds (distance) C4'-P energy: -6.268
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -7.085
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -6.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -70.176198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.176198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.176198 (E_RNA)
where:
Base-Base interactions energy: -28.223
where: short stacking energy: -21.226
Base-Backbone interact. energy: -0.171
local terms energy: -41.782086
where:
bonds (distance) C4'-P energy: -9.704
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -7.525
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -4.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -61.612561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.612561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.612561 (E_RNA)
where:
Base-Base interactions energy: -25.648
where: short stacking energy: -22.352
Base-Backbone interact. energy: -0.201
local terms energy: -35.763656
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -11.368
flat angles C4'-P-C4' energy: -8.553
flat angles P-C4'-P energy: -5.528
tors. eta vs tors. theta energy: 0.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -57.527100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.527100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.527100 (E_RNA)
where:
Base-Base interactions energy: -23.210
where: short stacking energy: -17.884
Base-Backbone interact. energy: -0.162
local terms energy: -34.154507
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -7.632
flat angles C4'-P-C4' energy: -10.837
flat angles P-C4'-P energy: -5.003
tors. eta vs tors. theta energy: 0.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -143.630249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.630249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.630249 (E_RNA)
where:
Base-Base interactions energy: -86.727
where: short stacking energy: -50.159
Base-Backbone interact. energy: -0.096
local terms energy: -56.807459
where:
bonds (distance) C4'-P energy: -10.818
bonds (distance) P-C4' energy: -12.053
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -12.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -134.820886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.820886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.820886 (E_RNA)
where:
Base-Base interactions energy: -73.268
where: short stacking energy: -44.551
Base-Backbone interact. energy: -0.121
local terms energy: -61.431596
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -12.185
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -12.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -123.966235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.966235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.966235 (E_RNA)
where:
Base-Base interactions energy: -65.265
where: short stacking energy: -40.604
Base-Backbone interact. energy: -0.020
local terms energy: -58.681486
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -10.179
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -14.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -96.573557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.573557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.573557 (E_RNA)
where:
Base-Base interactions energy: -44.667
where: short stacking energy: -44.667
Base-Backbone interact. energy: -0.003
local terms energy: -51.903414
where:
bonds (distance) C4'-P energy: -9.418
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -5.198
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: 5, replica: 9
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -100.420884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.420884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.420884 (E_RNA)
where:
Base-Base interactions energy: -48.320
where: short stacking energy: -48.320
Base-Backbone interact. energy: -0.042
local terms energy: -52.059480
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -9.933
flat angles C4'-P-C4' energy: -11.732
flat angles P-C4'-P energy: -4.015
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: 6, replica: 7
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -79.898580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.898580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.898580 (E_RNA)
where:
Base-Base interactions energy: -32.872
where: short stacking energy: -32.872
Base-Backbone interact. energy: -0.001
local terms energy: -47.025543
where:
bonds (distance) C4'-P energy: -10.085
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -6.961
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: 7, replica: 5
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -75.028550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.028550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.028550 (E_RNA)
where:
Base-Base interactions energy: -34.012
where: short stacking energy: -34.012
Base-Backbone interact. energy: -0.071
local terms energy: -40.945604
where:
bonds (distance) C4'-P energy: -9.452
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -6.768
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -4.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -58.592851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.592851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.592851 (E_RNA)
where:
Base-Base interactions energy: -22.458
where: short stacking energy: -18.860
Base-Backbone interact. energy: -1.111
local terms energy: -35.023697
where:
bonds (distance) C4'-P energy: -6.418
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -10.299
flat angles P-C4'-P energy: -5.937
tors. eta vs tors. theta energy: 0.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -64.768798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.768798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.768798 (E_RNA)
where:
Base-Base interactions energy: -25.848
where: short stacking energy: -25.848
Base-Backbone interact. energy: -0.042
local terms energy: -38.879143
where:
bonds (distance) C4'-P energy: -8.761
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: 0.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -79.087968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.087968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.087968 (E_RNA)
where:
Base-Base interactions energy: -30.961
where: short stacking energy: -30.961
Base-Backbone interact. energy: -0.125
local terms energy: -48.001816
where:
bonds (distance) C4'-P energy: -11.199
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -10.905
flat angles P-C4'-P energy: -6.733
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: 1
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -139.042974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.042974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.042974 (E_RNA)
where:
Base-Base interactions energy: -80.923
where: short stacking energy: -53.733
Base-Backbone interact. energy: -0.077
local terms energy: -58.042934
where:
bonds (distance) C4'-P energy: -9.477
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -8.402
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: 2, replica: 8
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -131.438590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.438590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.438590 (E_RNA)
where:
Base-Base interactions energy: -80.156
where: short stacking energy: -52.247
Base-Backbone interact. energy: -0.203
local terms energy: -51.079433
where:
bonds (distance) C4'-P energy: -9.754
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -8.676
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: -12.275
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: 3, replica: 4
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -96.083758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.083758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.083758 (E_RNA)
where:
Base-Base interactions energy: -42.840
where: short stacking energy: -42.840
Base-Backbone interact. energy: -0.109
local terms energy: -53.134577
where:
bonds (distance) C4'-P energy: -9.418
bonds (distance) P-C4' energy: -7.701
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -11.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -125.930671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.930671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.930671 (E_RNA)
where:
Base-Base interactions energy: -74.577
where: short stacking energy: -42.174
Base-Backbone interact. energy: -0.025
local terms energy: -51.328166
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -8.347
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -10.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -90.982967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.982967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.982967 (E_RNA)
where:
Base-Base interactions energy: -41.884
where: short stacking energy: -37.217
Base-Backbone interact. energy: -0.011
local terms energy: -49.087377
where:
bonds (distance) C4'-P energy: -10.992
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -10.566
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -9.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -70.281779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.281779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.281779 (E_RNA)
where:
Base-Base interactions energy: -23.246
where: short stacking energy: -23.246
Base-Backbone interact. energy: -0.103
local terms energy: -46.932850
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -4.849
tors. eta vs tors. theta energy: -2.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -80.739324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.739324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.739324 (E_RNA)
where:
Base-Base interactions energy: -32.276
where: short stacking energy: -32.276
Base-Backbone interact. energy: -0.001
local terms energy: -48.462701
where:
bonds (distance) C4'-P energy: -10.979
bonds (distance) P-C4' energy: -11.261
flat angles C4'-P-C4' energy: -8.824
flat angles P-C4'-P energy: -5.420
tors. eta vs tors. theta energy: -11.980
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: 8, replica: 2
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -65.389075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.389075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.389075 (E_RNA)
where:
Base-Base interactions energy: -18.520
where: short stacking energy: -15.716
Base-Backbone interact. energy: -0.014
local terms energy: -46.855060
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -5.852
tors. eta vs tors. theta energy: -2.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -67.035815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.035815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.035815 (E_RNA)
where:
Base-Base interactions energy: -31.587
where: short stacking energy: -31.587
Base-Backbone interact. energy: -0.097
local terms energy: -35.351526
where:
bonds (distance) C4'-P energy: -4.231
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -5.085
flat angles P-C4'-P energy: -7.998
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: 10, replica: 6
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -59.971883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.971883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.971883 (E_RNA)
where:
Base-Base interactions energy: -27.766
where: short stacking energy: -26.812
Base-Backbone interact. energy: 0.951
local terms energy: -33.157393
where:
bonds (distance) C4'-P energy: -9.055
bonds (distance) P-C4' energy: -8.156
flat angles C4'-P-C4' energy: -8.434
flat angles P-C4'-P energy: -6.955
tors. eta vs tors. theta energy: -0.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -140.771048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.771048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.771048 (E_RNA)
where:
Base-Base interactions energy: -83.363
where: short stacking energy: -48.742
Base-Backbone interact. energy: -0.100
local terms energy: -57.307878
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -10.350
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -12.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -140.986232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.986232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.986232 (E_RNA)
where:
Base-Base interactions energy: -78.769
where: short stacking energy: -49.950
Base-Backbone interact. energy: -0.011
local terms energy: -62.205698
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -12.674
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -9.914
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: 3, replica: 4
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -124.943757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.943757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.943757 (E_RNA)
where:
Base-Base interactions energy: -75.266
where: short stacking energy: -40.224
Base-Backbone interact. energy: -0.017
local terms energy: -49.660158
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -9.152
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -2.426
tors. eta vs tors. theta energy: -12.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -95.873860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.873860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.873860 (E_RNA)
where:
Base-Base interactions energy: -46.620
where: short stacking energy: -46.620
Base-Backbone interact. energy: -0.071
local terms energy: -49.182868
where:
bonds (distance) C4'-P energy: -9.543
bonds (distance) P-C4' energy: -10.556
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: -10.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -124.638765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.638765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.638765 (E_RNA)
where:
Base-Base interactions energy: -73.725
where: short stacking energy: -38.517
Base-Backbone interact. energy: -0.061
local terms energy: -50.852414
where:
bonds (distance) C4'-P energy: -10.432
bonds (distance) P-C4' energy: -9.443
flat angles C4'-P-C4' energy: -10.666
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -10.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -80.980806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.980806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.980806 (E_RNA)
where:
Base-Base interactions energy: -25.274
where: short stacking energy: -25.274
Base-Backbone interact. energy: -0.176
local terms energy: -55.530650
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -7.905
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: 7, replica: 7
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -83.883884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.883884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.883884 (E_RNA)
where:
Base-Base interactions energy: -35.436
where: short stacking energy: -33.724
Base-Backbone interact. energy: 0.182
local terms energy: -48.629207
where:
bonds (distance) C4'-P energy: -7.937
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -4.879
tors. eta vs tors. theta energy: -10.103
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: 365
Temperature: 1.250000
Total energy: -77.397739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.397739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.397739 (E_RNA)
where:
Base-Base interactions energy: -27.639
where: short stacking energy: -27.639
Base-Backbone interact. energy: -0.270
local terms energy: -49.489531
where:
bonds (distance) C4'-P energy: -11.622
bonds (distance) P-C4' energy: -10.389
flat angles C4'-P-C4' energy: -10.276
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -9.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -62.068030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.068030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.068030 (E_RNA)
where:
Base-Base interactions energy: -18.752
where: short stacking energy: -18.752
Base-Backbone interact. energy: -0.147
local terms energy: -43.168335
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -5.724
tors. eta vs tors. theta energy: 1.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -62.570774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.570774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.570774 (E_RNA)
where:
Base-Base interactions energy: -26.229
where: short stacking energy: -26.229
Base-Backbone interact. energy: -0.107
local terms energy: -36.234475
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -7.107
flat angles C4'-P-C4' energy: -9.770
flat angles P-C4'-P energy: -2.407
tors. eta vs tors. theta energy: -4.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -150.334618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.334618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.334618 (E_RNA)
where:
Base-Base interactions energy: -92.142
where: short stacking energy: -57.257
Base-Backbone interact. energy: 1.400
local terms energy: -59.592635
where:
bonds (distance) C4'-P energy: -11.281
bonds (distance) P-C4' energy: -11.333
flat angles C4'-P-C4' energy: -9.300
flat angles P-C4'-P energy: -10.576
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: 2, replica: 1
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -133.588890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.588890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.588890 (E_RNA)
where:
Base-Base interactions energy: -76.990
where: short stacking energy: -48.048
Base-Backbone interact. energy: -0.193
local terms energy: -56.405698
where:
bonds (distance) C4'-P energy: -11.343
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -11.452
flat angles P-C4'-P energy: -4.442
tors. eta vs tors. theta energy: -15.731
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: 4
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -131.887655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.887655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.887655 (E_RNA)
where:
Base-Base interactions energy: -76.516
where: short stacking energy: -48.862
Base-Backbone interact. energy: 0.507
local terms energy: -55.877732
where:
bonds (distance) C4'-P energy: -10.006
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -11.952
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: 366
Temperature: 1.050000
Total energy: -105.982276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.982276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.982276 (E_RNA)
where:
Base-Base interactions energy: -58.151
where: short stacking energy: -40.104
Base-Backbone interact. energy: -0.003
local terms energy: -47.828358
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -10.161
flat angles C4'-P-C4' energy: -8.185
flat angles P-C4'-P energy: -6.086
tors. eta vs tors. theta energy: -10.277
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: 5
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -84.036170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.036170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.036170 (E_RNA)
where:
Base-Base interactions energy: -34.480
where: short stacking energy: -34.480
Base-Backbone interact. energy: -0.057
local terms energy: -49.499526
where:
bonds (distance) C4'-P energy: -8.492
bonds (distance) P-C4' energy: -10.882
flat angles C4'-P-C4' energy: -10.332
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -11.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -119.767981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.767981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.767981 (E_RNA)
where:
Base-Base interactions energy: -64.905
where: short stacking energy: -39.279
Base-Backbone interact. energy: -0.105
local terms energy: -54.757914
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -10.195
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -11.570
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: 3
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -82.295865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.295865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.295865 (E_RNA)
where:
Base-Base interactions energy: -34.977
where: short stacking energy: -34.977
Base-Backbone interact. energy: -0.255
local terms energy: -47.064167
where:
bonds (distance) C4'-P energy: -11.062
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -10.036
flat angles P-C4'-P energy: -4.118
tors. eta vs tors. theta energy: -9.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -66.122797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.122797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.122797 (E_RNA)
where:
Base-Base interactions energy: -26.877
where: short stacking energy: -22.850
Base-Backbone interact. energy: -0.063
local terms energy: -39.182079
where:
bonds (distance) C4'-P energy: -9.476
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -9.371
flat angles P-C4'-P energy: -3.769
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -64.544978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.544978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.544978 (E_RNA)
where:
Base-Base interactions energy: -19.740
where: short stacking energy: -19.740
Base-Backbone interact. energy: -0.116
local terms energy: -44.689566
where:
bonds (distance) C4'-P energy: -9.935
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -8.790
flat angles P-C4'-P energy: -6.530
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: 10, replica: 2
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -68.659589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.659589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.659589 (E_RNA)
where:
Base-Base interactions energy: -27.226
where: short stacking energy: -10.942
Base-Backbone interact. energy: -0.308
local terms energy: -41.125489
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -3.599
tors. eta vs tors. theta energy: -0.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -145.483036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.483036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.483036 (E_RNA)
where:
Base-Base interactions energy: -90.267
where: short stacking energy: -53.713
Base-Backbone interact. energy: -0.001
local terms energy: -55.214564
where:
bonds (distance) C4'-P energy: -8.616
bonds (distance) P-C4' energy: -11.486
flat angles C4'-P-C4' energy: -10.053
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -15.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -135.771616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.771616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.771616 (E_RNA)
where:
Base-Base interactions energy: -79.311
where: short stacking energy: -44.842
Base-Backbone interact. energy: -0.842
local terms energy: -55.618853
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -8.323
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: 3, replica: 1
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -134.081910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.081910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.081910 (E_RNA)
where:
Base-Base interactions energy: -78.368
where: short stacking energy: -44.724
Base-Backbone interact. energy: -0.035
local terms energy: -55.678580
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -10.715
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: -13.152
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: 9
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -96.363545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.363545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.363545 (E_RNA)
where:
Base-Base interactions energy: -56.691
where: short stacking energy: -38.405
Base-Backbone interact. energy: -0.068
local terms energy: -39.604188
where:
bonds (distance) C4'-P energy: -11.340
bonds (distance) P-C4' energy: -10.182
flat angles C4'-P-C4' energy: -8.647
flat angles P-C4'-P energy: -2.782
tors. eta vs tors. theta energy: -6.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -84.883398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.883398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.883398 (E_RNA)
where:
Base-Base interactions energy: -30.535
where: short stacking energy: -30.535
Base-Backbone interact. energy: -0.000
local terms energy: -54.348643
where:
bonds (distance) C4'-P energy: -11.335
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -8.248
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: 3
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -76.369974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.369974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.369974 (E_RNA)
where:
Base-Base interactions energy: -33.797
where: short stacking energy: -26.022
Base-Backbone interact. energy: -0.121
local terms energy: -42.451760
where:
bonds (distance) C4'-P energy: -10.692
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -9.352
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -0.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -105.948058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.948058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.948058 (E_RNA)
where:
Base-Base interactions energy: -57.588
where: short stacking energy: -25.157
Base-Backbone interact. energy: -0.269
local terms energy: -48.091131
where:
bonds (distance) C4'-P energy: -10.598
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -9.959
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -7.208
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: 6
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -82.452258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.452258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.452258 (E_RNA)
where:
Base-Base interactions energy: -37.220
where: short stacking energy: -29.044
Base-Backbone interact. energy: -0.220
local terms energy: -45.012770
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -11.157
flat angles C4'-P-C4' energy: -11.416
flat angles P-C4'-P energy: -5.030
tors. eta vs tors. theta energy: -6.029
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: 7
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -66.007143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.007143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.007143 (E_RNA)
where:
Base-Base interactions energy: -26.373
where: short stacking energy: -22.759
Base-Backbone interact. energy: -0.025
local terms energy: -39.609231
where:
bonds (distance) C4'-P energy: -9.630
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -5.803
flat angles P-C4'-P energy: -5.482
tors. eta vs tors. theta energy: -6.293
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: 2
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -70.151204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.151204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.151204 (E_RNA)
where:
Base-Base interactions energy: -32.218
where: short stacking energy: -32.218
Base-Backbone interact. energy: 1.015
local terms energy: -38.948242
where:
bonds (distance) C4'-P energy: -10.122
bonds (distance) P-C4' energy: -6.224
flat angles C4'-P-C4' energy: -7.298
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -6.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -142.691211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.691211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.691211 (E_RNA)
where:
Base-Base interactions energy: -79.111
where: short stacking energy: -50.902
Base-Backbone interact. energy: -0.004
local terms energy: -63.576681
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -14.599
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: 8
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -129.535829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.535829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.535829 (E_RNA)
where:
Base-Base interactions energy: -76.321
where: short stacking energy: -49.650
Base-Backbone interact. energy: -0.122
local terms energy: -53.093021
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -10.931
flat angles C4'-P-C4' energy: -11.636
flat angles P-C4'-P energy: -7.224
tors. eta vs tors. theta energy: -10.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -128.768306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.768306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.768306 (E_RNA)
where:
Base-Base interactions energy: -70.240
where: short stacking energy: -43.074
Base-Backbone interact. energy: -0.040
local terms energy: -58.488487
where:
bonds (distance) C4'-P energy: -11.599
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -11.168
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -13.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -100.763097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.763097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.763097 (E_RNA)
where:
Base-Base interactions energy: -44.398
where: short stacking energy: -44.398
Base-Backbone interact. energy: -0.008
local terms energy: -56.356485
where:
bonds (distance) C4'-P energy: -10.900
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -4.871
tors. eta vs tors. theta energy: -14.740
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: 5, replica: 3
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -105.579950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.579950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.579950 (E_RNA)
where:
Base-Base interactions energy: -60.871
where: short stacking energy: -29.598
Base-Backbone interact. energy: -0.187
local terms energy: -44.521794
where:
bonds (distance) C4'-P energy: -6.292
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -7.251
tors. eta vs tors. theta energy: -7.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -76.104293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.104293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.104293 (E_RNA)
where:
Base-Base interactions energy: -30.583
where: short stacking energy: -22.626
Base-Backbone interact. energy: -0.013
local terms energy: -45.508310
where:
bonds (distance) C4'-P energy: -11.551
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -9.293
flat angles P-C4'-P energy: -6.634
tors. eta vs tors. theta energy: -5.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -77.052477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.052477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.052477 (E_RNA)
where:
Base-Base interactions energy: -30.244
where: short stacking energy: -30.244
Base-Backbone interact. energy: -0.007
local terms energy: -46.801289
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -8.898
flat angles P-C4'-P energy: -5.442
tors. eta vs tors. theta energy: -7.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -65.967006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.967006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.967006 (E_RNA)
where:
Base-Base interactions energy: -22.799
where: short stacking energy: -21.037
Base-Backbone interact. energy: -0.110
local terms energy: -43.058495
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -11.878
flat angles C4'-P-C4' energy: -9.575
flat angles P-C4'-P energy: -6.476
tors. eta vs tors. theta energy: -3.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -68.377040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.377040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.377040 (E_RNA)
where:
Base-Base interactions energy: -26.565
where: short stacking energy: -26.565
Base-Backbone interact. energy: -0.073
local terms energy: -41.739472
where:
bonds (distance) C4'-P energy: -5.982
bonds (distance) P-C4' energy: -10.594
flat angles C4'-P-C4' energy: -10.532
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -6.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -66.914267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.914267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.914267 (E_RNA)
where:
Base-Base interactions energy: -27.929
where: short stacking energy: -16.435
Base-Backbone interact. energy: -0.260
local terms energy: -38.724652
where:
bonds (distance) C4'-P energy: -12.515
bonds (distance) P-C4' energy: -10.672
flat angles C4'-P-C4' energy: -7.306
flat angles P-C4'-P energy: -2.706
tors. eta vs tors. theta energy: -5.526
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: 4
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -141.024305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.024305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.024305 (E_RNA)
where:
Base-Base interactions energy: -85.766
where: short stacking energy: -45.752
Base-Backbone interact. energy: -0.007
local terms energy: -55.250933
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -12.008
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: 8
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -122.275368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.275368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.275368 (E_RNA)
where:
Base-Base interactions energy: -69.138
where: short stacking energy: -38.817
Base-Backbone interact. energy: -0.089
local terms energy: -53.049139
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -5.103
tors. eta vs tors. theta energy: -10.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -122.330380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.330380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.330380 (E_RNA)
where:
Base-Base interactions energy: -69.334
where: short stacking energy: -40.303
Base-Backbone interact. energy: -0.001
local terms energy: -52.994850
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -10.700
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -9.581
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: 4, replica: 3
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -120.058624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.058624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.058624 (E_RNA)
where:
Base-Base interactions energy: -69.730
where: short stacking energy: -41.613
Base-Backbone interact. energy: -0.005
local terms energy: -50.323274
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -9.463
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -6.166
tors. eta vs tors. theta energy: -11.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -85.399407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.399407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.399407 (E_RNA)
where:
Base-Base interactions energy: -40.158
where: short stacking energy: -34.746
Base-Backbone interact. energy: -0.024
local terms energy: -45.217163
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -9.119
flat angles C4'-P-C4' energy: -8.847
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -7.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -70.606855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.606855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.606855 (E_RNA)
where:
Base-Base interactions energy: -23.263
where: short stacking energy: -23.263
Base-Backbone interact. energy: -0.013
local terms energy: -47.331529
where:
bonds (distance) C4'-P energy: -8.939
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -10.571
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -4.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -72.826775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.826775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.826775 (E_RNA)
where:
Base-Base interactions energy: -28.792
where: short stacking energy: -28.767
Base-Backbone interact. energy: -0.084
local terms energy: -43.951626
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -7.683
flat angles P-C4'-P energy: -5.619
tors. eta vs tors. theta energy: -4.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -58.098632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.098632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.098632 (E_RNA)
where:
Base-Base interactions energy: -24.624
where: short stacking energy: -22.999
Base-Backbone interact. energy: -0.021
local terms energy: -33.453791
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -10.142
flat angles C4'-P-C4' energy: -7.038
flat angles P-C4'-P energy: -4.315
tors. eta vs tors. theta energy: 0.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -69.032066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.032066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.032066 (E_RNA)
where:
Base-Base interactions energy: -27.581
where: short stacking energy: -14.470
Base-Backbone interact. energy: -0.225
local terms energy: -41.226395
where:
bonds (distance) C4'-P energy: -8.794
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -8.449
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -2.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -63.014401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.014401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.014401 (E_RNA)
where:
Base-Base interactions energy: -22.957
where: short stacking energy: -23.747
Base-Backbone interact. energy: 0.169
local terms energy: -40.226094
where:
bonds (distance) C4'-P energy: -8.246
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -7.913
flat angles P-C4'-P energy: -4.977
tors. eta vs tors. theta energy: -5.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -128.171908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.171908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.171908 (E_RNA)
where:
Base-Base interactions energy: -73.138
where: short stacking energy: -49.095
Base-Backbone interact. energy: -0.144
local terms energy: -54.890623
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -10.005
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -6.958
tors. eta vs tors. theta energy: -13.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -129.690189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.690189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.690189 (E_RNA)
where:
Base-Base interactions energy: -69.269
where: short stacking energy: -50.903
Base-Backbone interact. energy: -0.010
local terms energy: -60.410627
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -12.370
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: 3, replica: 3
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -122.979093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.979093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.979093 (E_RNA)
where:
Base-Base interactions energy: -69.793
where: short stacking energy: -32.794
Base-Backbone interact. energy: -0.087
local terms energy: -53.099271
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -11.673
flat angles P-C4'-P energy: -5.550
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: 4, replica: 1
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -115.530266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.530266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.530266 (E_RNA)
where:
Base-Base interactions energy: -62.774
where: short stacking energy: -37.417
Base-Backbone interact. energy: -0.031
local terms energy: -52.724855
where:
bonds (distance) C4'-P energy: -8.780
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -11.504
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -8.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -81.634018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.634018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.634018 (E_RNA)
where:
Base-Base interactions energy: -41.861
where: short stacking energy: -26.780
Base-Backbone interact. energy: -0.271
local terms energy: -39.502760
where:
bonds (distance) C4'-P energy: -7.929
bonds (distance) P-C4' energy: -11.880
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -4.673
tors. eta vs tors. theta energy: -4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -81.807594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.807594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.807594 (E_RNA)
where:
Base-Base interactions energy: -33.022
where: short stacking energy: -33.022
Base-Backbone interact. energy: -0.031
local terms energy: -48.754444
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -8.986
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -4.998
tors. eta vs tors. theta energy: -11.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -77.477285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.477285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.477285 (E_RNA)
where:
Base-Base interactions energy: -33.204
where: short stacking energy: -29.628
Base-Backbone interact. energy: -0.095
local terms energy: -44.178496
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -10.448
flat angles C4'-P-C4' energy: -9.273
flat angles P-C4'-P energy: -3.897
tors. eta vs tors. theta energy: -8.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -74.215697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.215697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.215697 (E_RNA)
where:
Base-Base interactions energy: -31.672
where: short stacking energy: -26.079
Base-Backbone interact. energy: -0.015
local terms energy: -42.528195
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -7.574
flat angles P-C4'-P energy: -6.827
tors. eta vs tors. theta energy: -3.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -71.668799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.668799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.668799 (E_RNA)
where:
Base-Base interactions energy: -26.379
where: short stacking energy: -26.252
Base-Backbone interact. energy: -0.212
local terms energy: -45.077079
where:
bonds (distance) C4'-P energy: -8.898
bonds (distance) P-C4' energy: -10.098
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -5.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -64.189167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.189167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.189167 (E_RNA)
where:
Base-Base interactions energy: -27.375
where: short stacking energy: -27.375
Base-Backbone interact. energy: -0.062
local terms energy: -36.752255
where:
bonds (distance) C4'-P energy: -10.155
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -6.722
flat angles P-C4'-P energy: -4.772
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: 8
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -105.492417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.492417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.492417 (E_RNA)
where:
Base-Base interactions energy: -54.371
where: short stacking energy: -38.237
Base-Backbone interact. energy: -0.300
local terms energy: -50.821800
where:
bonds (distance) C4'-P energy: -12.093
bonds (distance) P-C4' energy: -9.657
flat angles C4'-P-C4' energy: -10.433
flat angles P-C4'-P energy: -5.966
tors. eta vs tors. theta energy: -12.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -134.446226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.446226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.446226 (E_RNA)
where:
Base-Base interactions energy: -80.871
where: short stacking energy: -46.611
Base-Backbone interact. energy: -0.012
local terms energy: -53.563033
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -10.979
flat angles P-C4'-P energy: -6.901
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: 4
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -133.720163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.720163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.720163 (E_RNA)
where:
Base-Base interactions energy: -76.574
where: short stacking energy: -43.391
Base-Backbone interact. energy: -0.000
local terms energy: -57.145452
where:
bonds (distance) C4'-P energy: -11.265
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -10.739
flat angles P-C4'-P energy: -4.933
tors. eta vs tors. theta energy: -16.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -113.054607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.054607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.054607 (E_RNA)
where:
Base-Base interactions energy: -65.026
where: short stacking energy: -32.678
Base-Backbone interact. energy: -0.165
local terms energy: -47.863360
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -8.535
flat angles C4'-P-C4' energy: -9.892
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -7.022
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: 9
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -81.772403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.772403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.772403 (E_RNA)
where:
Base-Base interactions energy: -33.891
where: short stacking energy: -34.291
Base-Backbone interact. energy: -0.046
local terms energy: -47.835276
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -5.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -72.864728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.864728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.864728 (E_RNA)
where:
Base-Base interactions energy: -23.851
where: short stacking energy: -23.851
Base-Backbone interact. energy: -0.197
local terms energy: -48.816804
where:
bonds (distance) C4'-P energy: -10.759
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -9.362
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -6.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -63.928047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.928047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.928047 (E_RNA)
where:
Base-Base interactions energy: -24.487
where: short stacking energy: -24.487
Base-Backbone interact. energy: 0.788
local terms energy: -40.229374
where:
bonds (distance) C4'-P energy: -9.550
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -5.000
flat angles P-C4'-P energy: -7.564
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: 8, replica: 7
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -68.390967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.390967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.390967 (E_RNA)
where:
Base-Base interactions energy: -30.701
where: short stacking energy: -22.439
Base-Backbone interact. energy: -1.003
local terms energy: -36.687286
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -8.861
flat angles C4'-P-C4' energy: -10.044
flat angles P-C4'-P energy: -3.907
tors. eta vs tors. theta energy: -2.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -74.300458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.300458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.300458 (E_RNA)
where:
Base-Base interactions energy: -29.839
where: short stacking energy: -13.138
Base-Backbone interact. energy: -0.046
local terms energy: -44.414868
where:
bonds (distance) C4'-P energy: -9.175
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -10.638
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -5.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -60.232640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.232640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.232640 (E_RNA)
where:
Base-Base interactions energy: -22.206
where: short stacking energy: -22.206
Base-Backbone interact. energy: -0.163
local terms energy: -37.863518
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -11.044
flat angles C4'-P-C4' energy: -9.042
flat angles P-C4'-P energy: -4.027
tors. eta vs tors. theta energy: -1.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -146.732327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.732327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.732327 (E_RNA)
where:
Base-Base interactions energy: -91.811
where: short stacking energy: -54.120
Base-Backbone interact. energy: -0.107
local terms energy: -54.814224
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -10.590
flat angles C4'-P-C4' energy: -9.695
flat angles P-C4'-P energy: -5.911
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: 8
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -93.616724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.616724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.616724 (E_RNA)
where:
Base-Base interactions energy: -45.452
where: short stacking energy: -33.494
Base-Backbone interact. energy: -0.129
local terms energy: -48.035282
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -0.542
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: 1
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -123.727352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.727352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.727352 (E_RNA)
where:
Base-Base interactions energy: -73.146
where: short stacking energy: -40.479
Base-Backbone interact. energy: -0.060
local terms energy: -50.520864
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -6.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -128.610416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.610416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.610416 (E_RNA)
where:
Base-Base interactions energy: -71.063
where: short stacking energy: -41.208
Base-Backbone interact. energy: -0.261
local terms energy: -57.286535
where:
bonds (distance) C4'-P energy: -10.825
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -12.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -93.727569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.727569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.727569 (E_RNA)
where:
Base-Base interactions energy: -44.669
where: short stacking energy: -44.669
Base-Backbone interact. energy: -0.035
local terms energy: -49.024052
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -10.757
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -4.636
tors. eta vs tors. theta energy: -10.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -76.257759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.257759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.257759 (E_RNA)
where:
Base-Base interactions energy: -33.100
where: short stacking energy: -29.384
Base-Backbone interact. energy: -0.042
local terms energy: -43.116291
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -9.825
flat angles P-C4'-P energy: -5.835
tors. eta vs tors. theta energy: -1.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -75.335845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.335845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.335845 (E_RNA)
where:
Base-Base interactions energy: -30.243
where: short stacking energy: -30.243
Base-Backbone interact. energy: -0.237
local terms energy: -44.856204
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -10.473
flat angles C4'-P-C4' energy: -9.426
flat angles P-C4'-P energy: -6.991
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -73.452596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.452596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.452596 (E_RNA)
where:
Base-Base interactions energy: -27.586
where: short stacking energy: -27.586
Base-Backbone interact. energy: -1.170
local terms energy: -44.696319
where:
bonds (distance) C4'-P energy: -10.776
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -2.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -65.188623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.188623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.188623 (E_RNA)
where:
Base-Base interactions energy: -28.577
where: short stacking energy: -28.577
Base-Backbone interact. energy: -0.129
local terms energy: -36.482516
where:
bonds (distance) C4'-P energy: -8.249
bonds (distance) P-C4' energy: -9.770
flat angles C4'-P-C4' energy: -10.632
flat angles P-C4'-P energy: -4.364
tors. eta vs tors. theta energy: -3.468
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: 2
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -61.774716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.774716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.774716 (E_RNA)
where:
Base-Base interactions energy: -17.439
where: short stacking energy: -16.850
Base-Backbone interact. energy: -0.253
local terms energy: -44.082784
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -10.509
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: 0.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -142.472636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.472636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.472636 (E_RNA)
where:
Base-Base interactions energy: -87.548
where: short stacking energy: -45.608
Base-Backbone interact. energy: -0.105
local terms energy: -54.819887
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -8.203
flat angles P-C4'-P energy: -7.759
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: 2, replica: 1
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -134.976217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.976217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.976217 (E_RNA)
where:
Base-Base interactions energy: -80.277
where: short stacking energy: -45.677
Base-Backbone interact. energy: -0.002
local terms energy: -54.697792
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -8.809
flat angles C4'-P-C4' energy: -12.493
flat angles P-C4'-P energy: -8.469
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: 3, replica: 8
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -91.418609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.418609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.418609 (E_RNA)
where:
Base-Base interactions energy: -48.450
where: short stacking energy: -43.580
Base-Backbone interact. energy: -0.093
local terms energy: -42.875694
where:
bonds (distance) C4'-P energy: -6.842
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -7.634
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -7.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -99.792849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.792849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.792849 (E_RNA)
where:
Base-Base interactions energy: -49.627
where: short stacking energy: -49.627
Base-Backbone interact. energy: 1.555
local terms energy: -51.720818
where:
bonds (distance) C4'-P energy: -8.565
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -4.730
tors. eta vs tors. theta energy: -12.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -91.187579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.187579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.187579 (E_RNA)
where:
Base-Base interactions energy: -42.623
where: short stacking energy: -30.348
Base-Backbone interact. energy: -0.157
local terms energy: -48.407832
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -5.121
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: 9
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -80.129878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.129878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.129878 (E_RNA)
where:
Base-Base interactions energy: -39.100
where: short stacking energy: -24.803
Base-Backbone interact. energy: -0.087
local terms energy: -40.942486
where:
bonds (distance) C4'-P energy: -11.824
bonds (distance) P-C4' energy: -9.295
flat angles C4'-P-C4' energy: -11.989
flat angles P-C4'-P energy: -6.253
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: 7, replica: 7
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -85.764885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.764885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.764885 (E_RNA)
where:
Base-Base interactions energy: -36.876
where: short stacking energy: -36.876
Base-Backbone interact. energy: -0.001
local terms energy: -48.887971
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -11.605
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -3.613
tors. eta vs tors. theta energy: -8.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -63.716296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.716296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.716296 (E_RNA)
where:
Base-Base interactions energy: -19.998
where: short stacking energy: -19.998
Base-Backbone interact. energy: -0.039
local terms energy: -43.679399
where:
bonds (distance) C4'-P energy: -12.420
bonds (distance) P-C4' energy: -10.853
flat angles C4'-P-C4' energy: -10.800
flat angles P-C4'-P energy: -6.702
tors. eta vs tors. theta energy: -2.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -67.738551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.738551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.738551 (E_RNA)
where:
Base-Base interactions energy: -28.832
where: short stacking energy: -28.832
Base-Backbone interact. energy: -0.163
local terms energy: -38.743076
where:
bonds (distance) C4'-P energy: -6.719
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -6.504
tors. eta vs tors. theta energy: -2.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -66.187102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.187102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.187102 (E_RNA)
where:
Base-Base interactions energy: -24.342
where: short stacking energy: -19.640
Base-Backbone interact. energy: -0.251
local terms energy: -41.594131
where:
bonds (distance) C4'-P energy: -11.364
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -7.062
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -4.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -142.972081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.972081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.972081 (E_RNA)
where:
Base-Base interactions energy: -85.430
where: short stacking energy: -48.670
Base-Backbone interact. energy: 0.050
local terms energy: -57.591608
where:
bonds (distance) C4'-P energy: -11.452
bonds (distance) P-C4' energy: -10.862
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -13.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -141.347683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.347683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.347683 (E_RNA)
where:
Base-Base interactions energy: -75.502
where: short stacking energy: -42.757
Base-Backbone interact. energy: -0.079
local terms energy: -65.766150
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -16.461
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: 3, replica: 6
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -104.744166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.744166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.744166 (E_RNA)
where:
Base-Base interactions energy: -48.241
where: short stacking energy: -48.241
Base-Backbone interact. energy: -0.001
local terms energy: -56.501288
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -10.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -92.436857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.436857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.436857 (E_RNA)
where:
Base-Base interactions energy: -40.704
where: short stacking energy: -40.704
Base-Backbone interact. energy: -0.000
local terms energy: -51.732469
where:
bonds (distance) C4'-P energy: -10.586
bonds (distance) P-C4' energy: -7.012
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -11.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -91.282083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.282083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.282083 (E_RNA)
where:
Base-Base interactions energy: -46.155
where: short stacking energy: -39.564
Base-Backbone interact. energy: -0.908
local terms energy: -44.219112
where:
bonds (distance) C4'-P energy: -8.397
bonds (distance) P-C4' energy: -9.965
flat angles C4'-P-C4' energy: -9.558
flat angles P-C4'-P energy: -8.709
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: 6, replica: 4
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -79.920206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.920206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.920206 (E_RNA)
where:
Base-Base interactions energy: -37.200
where: short stacking energy: -37.200
Base-Backbone interact. energy: -0.006
local terms energy: -42.714803
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -3.322
flat angles C4'-P-C4' energy: -10.249
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -10.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -79.543023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.543023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.543023 (E_RNA)
where:
Base-Base interactions energy: -35.174
where: short stacking energy: -22.475
Base-Backbone interact. energy: -0.004
local terms energy: -44.365257
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -10.034
flat angles C4'-P-C4' energy: -4.709
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -6.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -64.507673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.507673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.507673 (E_RNA)
where:
Base-Base interactions energy: -23.075
where: short stacking energy: -23.075
Base-Backbone interact. energy: -0.005
local terms energy: -41.427771
where:
bonds (distance) C4'-P energy: -9.231
bonds (distance) P-C4' energy: -10.772
flat angles C4'-P-C4' energy: -10.873
flat angles P-C4'-P energy: -6.211
tors. eta vs tors. theta energy: -4.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -63.854137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.854137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.854137 (E_RNA)
where:
Base-Base interactions energy: -21.926
where: short stacking energy: -21.926
Base-Backbone interact. energy: -0.076
local terms energy: -41.852379
where:
bonds (distance) C4'-P energy: -6.937
bonds (distance) P-C4' energy: -10.141
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -4.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -71.691084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.691084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.691084 (E_RNA)
where:
Base-Base interactions energy: -31.187
where: short stacking energy: -31.187
Base-Backbone interact. energy: -0.082
local terms energy: -40.422074
where:
bonds (distance) C4'-P energy: -8.570
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -8.590
flat angles P-C4'-P energy: -5.699
tors. eta vs tors. theta energy: -6.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -144.143866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.143866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.143866 (E_RNA)
where:
Base-Base interactions energy: -82.881
where: short stacking energy: -50.562
Base-Backbone interact. energy: -0.002
local terms energy: -61.261410
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -10.982
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -13.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -133.350123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.350123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.350123 (E_RNA)
where:
Base-Base interactions energy: -77.910
where: short stacking energy: -49.409
Base-Backbone interact. energy: 0.359
local terms energy: -55.799774
where:
bonds (distance) C4'-P energy: -9.667
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -6.136
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: 3, replica: 6
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -98.518147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.518147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.518147 (E_RNA)
where:
Base-Base interactions energy: -43.535
where: short stacking energy: -43.535
Base-Backbone interact. energy: -0.002
local terms energy: -54.981336
where:
bonds (distance) C4'-P energy: -11.153
bonds (distance) P-C4' energy: -10.253
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -12.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -85.572849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.572849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.572849 (E_RNA)
where:
Base-Base interactions energy: -31.927
where: short stacking energy: -31.927
Base-Backbone interact. energy: 0.326
local terms energy: -53.972222
where:
bonds (distance) C4'-P energy: -11.232
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -8.254
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: 5, replica: 9
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -73.064570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.064570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.064570 (E_RNA)
where:
Base-Base interactions energy: -22.003
where: short stacking energy: -21.726
Base-Backbone interact. energy: -0.098
local terms energy: -50.964305
where:
bonds (distance) C4'-P energy: -9.357
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -4.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -76.936481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.936481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.936481 (E_RNA)
where:
Base-Base interactions energy: -31.667
where: short stacking energy: -31.667
Base-Backbone interact. energy: -0.000
local terms energy: -45.269149
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -8.355
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -3.392
tors. eta vs tors. theta energy: -7.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -69.008718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.008718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.008718 (E_RNA)
where:
Base-Base interactions energy: -25.725
where: short stacking energy: -25.725
Base-Backbone interact. energy: -1.753
local terms energy: -41.531320
where:
bonds (distance) C4'-P energy: -11.356
bonds (distance) P-C4' energy: -9.777
flat angles C4'-P-C4' energy: -8.071
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -2.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -82.857560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.857560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.857560 (E_RNA)
where:
Base-Base interactions energy: -42.915
where: short stacking energy: -25.858
Base-Backbone interact. energy: -0.209
local terms energy: -39.733764
where:
bonds (distance) C4'-P energy: -9.402
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -10.633
flat angles P-C4'-P energy: -4.000
tors. eta vs tors. theta energy: -3.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -60.442311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.442311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.442311 (E_RNA)
where:
Base-Base interactions energy: -23.006
where: short stacking energy: -20.124
Base-Backbone interact. energy: -0.201
local terms energy: -37.236007
where:
bonds (distance) C4'-P energy: -6.975
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -9.454
flat angles P-C4'-P energy: -5.460
tors. eta vs tors. theta energy: -3.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -72.471935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.471935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.471935 (E_RNA)
where:
Base-Base interactions energy: -27.194
where: short stacking energy: -27.194
Base-Backbone interact. energy: -0.104
local terms energy: -45.173532
where:
bonds (distance) C4'-P energy: -12.652
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -7.995
flat angles P-C4'-P energy: -7.996
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: 1, replica: 3
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -126.256626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.256626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.256626 (E_RNA)
where:
Base-Base interactions energy: -70.429
where: short stacking energy: -44.324
Base-Backbone interact. energy: -0.049
local terms energy: -55.778288
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -9.968
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: 1
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -133.372751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.372751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.372751 (E_RNA)
where:
Base-Base interactions energy: -73.185
where: short stacking energy: -44.659
Base-Backbone interact. energy: -0.081
local terms energy: -60.106616
where:
bonds (distance) C4'-P energy: -12.415
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -10.757
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -13.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -97.570048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.570048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.570048 (E_RNA)
where:
Base-Base interactions energy: -46.953
where: short stacking energy: -46.953
Base-Backbone interact. energy: -0.056
local terms energy: -50.560992
where:
bonds (distance) C4'-P energy: -8.396
bonds (distance) P-C4' energy: -9.513
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -9.110
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: 4, replica: 6
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -86.182443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.182443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.182443 (E_RNA)
where:
Base-Base interactions energy: -37.376
where: short stacking energy: -37.376
Base-Backbone interact. energy: -0.091
local terms energy: -48.715717
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -8.928
flat angles C4'-P-C4' energy: -10.159
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -7.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -84.448008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.448008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.448008 (E_RNA)
where:
Base-Base interactions energy: -33.902
where: short stacking energy: -33.902
Base-Backbone interact. energy: 0.093
local terms energy: -50.638301
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -4.344
tors. eta vs tors. theta energy: -9.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -95.711236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.711236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.711236 (E_RNA)
where:
Base-Base interactions energy: -45.458
where: short stacking energy: -40.605
Base-Backbone interact. energy: -0.013
local terms energy: -50.240012
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -10.259
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -5.817
tors. eta vs tors. theta energy: -9.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -72.156064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.156064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.156064 (E_RNA)
where:
Base-Base interactions energy: -34.211
where: short stacking energy: -26.499
Base-Backbone interact. energy: -0.270
local terms energy: -37.674880
where:
bonds (distance) C4'-P energy: -10.520
bonds (distance) P-C4' energy: -10.003
flat angles C4'-P-C4' energy: -8.680
flat angles P-C4'-P energy: -5.088
tors. eta vs tors. theta energy: -3.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -76.749778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.749778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.749778 (E_RNA)
where:
Base-Base interactions energy: -40.394
where: short stacking energy: -28.530
Base-Backbone interact. energy: -0.559
local terms energy: -35.796926
where:
bonds (distance) C4'-P energy: -11.232
bonds (distance) P-C4' energy: -1.375
flat angles C4'-P-C4' energy: -9.237
flat angles P-C4'-P energy: -9.899
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: 9, replica: 5
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -75.129652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.129652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.129652 (E_RNA)
where:
Base-Base interactions energy: -32.723
where: short stacking energy: -32.723
Base-Backbone interact. energy: -0.105
local terms energy: -42.301012
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -8.013
flat angles P-C4'-P energy: -5.331
tors. eta vs tors. theta energy: -4.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -56.462023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.462023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.462023 (E_RNA)
where:
Base-Base interactions energy: -18.277
where: short stacking energy: -18.277
Base-Backbone interact. energy: -0.151
local terms energy: -38.034254
where:
bonds (distance) C4'-P energy: -10.735
bonds (distance) P-C4' energy: -11.282
flat angles C4'-P-C4' energy: -12.781
flat angles P-C4'-P energy: -6.468
tors. eta vs tors. theta energy: 3.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -123.123722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.123722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.123722 (E_RNA)
where:
Base-Base interactions energy: -68.019
where: short stacking energy: -43.741
Base-Backbone interact. energy: -0.266
local terms energy: -54.839110
where:
bonds (distance) C4'-P energy: -11.335
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -9.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -137.758751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.758751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.758751 (E_RNA)
where:
Base-Base interactions energy: -76.424
where: short stacking energy: -49.572
Base-Backbone interact. energy: -0.023
local terms energy: -61.311518
where:
bonds (distance) C4'-P energy: -10.792
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -15.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -93.162847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.162847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.162847 (E_RNA)
where:
Base-Base interactions energy: -42.865
where: short stacking energy: -40.402
Base-Backbone interact. energy: -0.048
local terms energy: -50.250004
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -10.427
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -6.260
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: 4, replica: 10
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -91.664848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.664848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.664848 (E_RNA)
where:
Base-Base interactions energy: -44.097
where: short stacking energy: -35.163
Base-Backbone interact. energy: 0.476
local terms energy: -48.044341
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -7.528
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -7.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -90.263085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.263085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.263085 (E_RNA)
where:
Base-Base interactions energy: -39.882
where: short stacking energy: -39.882
Base-Backbone interact. energy: -0.032
local terms energy: -50.349117
where:
bonds (distance) C4'-P energy: -9.514
bonds (distance) P-C4' energy: -10.697
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -8.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -81.172297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.172297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.172297 (E_RNA)
where:
Base-Base interactions energy: -34.223
where: short stacking energy: -33.184
Base-Backbone interact. energy: -0.024
local terms energy: -46.924679
where:
bonds (distance) C4'-P energy: -10.776
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -1.496
tors. eta vs tors. theta energy: -10.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -64.820516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.820516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.820516 (E_RNA)
where:
Base-Base interactions energy: -23.904
where: short stacking energy: -23.904
Base-Backbone interact. energy: 0.621
local terms energy: -41.537320
where:
bonds (distance) C4'-P energy: -9.844
bonds (distance) P-C4' energy: -10.971
flat angles C4'-P-C4' energy: -7.351
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -3.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -69.018948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.018948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.018948 (E_RNA)
where:
Base-Base interactions energy: -28.863
where: short stacking energy: -24.699
Base-Backbone interact. energy: -0.067
local terms energy: -40.089111
where:
bonds (distance) C4'-P energy: -6.455
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -8.944
flat angles P-C4'-P energy: -6.846
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: 4
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -62.760882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.760882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.760882 (E_RNA)
where:
Base-Base interactions energy: -17.467
where: short stacking energy: -17.467
Base-Backbone interact. energy: -0.094
local terms energy: -45.200403
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -10.107
flat angles P-C4'-P energy: -4.374
tors. eta vs tors. theta energy: -5.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -59.414796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.414796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.414796 (E_RNA)
where:
Base-Base interactions energy: -22.550
where: short stacking energy: -15.137
Base-Backbone interact. energy: -0.138
local terms energy: -36.727144
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -7.455
flat angles P-C4'-P energy: -4.771
tors. eta vs tors. theta energy: -0.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -146.220013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.220013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.220013 (E_RNA)
where:
Base-Base interactions energy: -92.162
where: short stacking energy: -50.485
Base-Backbone interact. energy: -0.310
local terms energy: -53.747849
where:
bonds (distance) C4'-P energy: -11.301
bonds (distance) P-C4' energy: -11.120
flat angles C4'-P-C4' energy: -8.063
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -15.025
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: 3
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -118.193569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.193569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.193569 (E_RNA)
where:
Base-Base interactions energy: -64.737
where: short stacking energy: -33.073
Base-Backbone interact. energy: -0.328
local terms energy: -53.129128
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -10.853
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -8.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -103.291567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.291567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.291567 (E_RNA)
where:
Base-Base interactions energy: -51.884
where: short stacking energy: -41.561
Base-Backbone interact. energy: -0.005
local terms energy: -51.402937
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -10.535
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -6.994
tors. eta vs tors. theta energy: -7.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -86.324994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.324994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.324994 (E_RNA)
where:
Base-Base interactions energy: -35.377
where: short stacking energy: -35.377
Base-Backbone interact. energy: -0.029
local terms energy: -50.919542
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -6.888
tors. eta vs tors. theta energy: -5.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -83.998506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.998506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.998506 (E_RNA)
where:
Base-Base interactions energy: -30.858
where: short stacking energy: -30.858
Base-Backbone interact. energy: -0.101
local terms energy: -53.039744
where:
bonds (distance) C4'-P energy: -13.546
bonds (distance) P-C4' energy: -11.130
flat angles C4'-P-C4' energy: -9.482
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -9.836
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: 6
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -72.531786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.531786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.531786 (E_RNA)
where:
Base-Base interactions energy: -34.394
where: short stacking energy: -35.294
Base-Backbone interact. energy: -0.258
local terms energy: -37.879721
where:
bonds (distance) C4'-P energy: -10.189
bonds (distance) P-C4' energy: -6.587
flat angles C4'-P-C4' energy: -9.002
flat angles P-C4'-P energy: -5.826
tors. eta vs tors. theta energy: -6.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -82.749294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.749294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.749294 (E_RNA)
where:
Base-Base interactions energy: -36.178
where: short stacking energy: -27.478
Base-Backbone interact. energy: -0.558
local terms energy: -46.013523
where:
bonds (distance) C4'-P energy: -7.393
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -7.733
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: 8, replica: 9
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -73.901855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.901855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.901855 (E_RNA)
where:
Base-Base interactions energy: -31.017
where: short stacking energy: -27.559
Base-Backbone interact. energy: -0.097
local terms energy: -42.788516
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -5.552
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: -5.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -61.779515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.779515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.779515 (E_RNA)
where:
Base-Base interactions energy: -26.808
where: short stacking energy: -26.808
Base-Backbone interact. energy: -0.156
local terms energy: -34.815334
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -8.146
flat angles C4'-P-C4' energy: -8.810
flat angles P-C4'-P energy: -3.320
tors. eta vs tors. theta energy: -3.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -58.363287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.363287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.363287 (E_RNA)
where:
Base-Base interactions energy: -21.285
where: short stacking energy: -20.952
Base-Backbone interact. energy: -0.215
local terms energy: -36.863605
where:
bonds (distance) C4'-P energy: -7.180
bonds (distance) P-C4' energy: -10.995
flat angles C4'-P-C4' energy: -7.830
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: -3.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -133.611376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.611376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.611376 (E_RNA)
where:
Base-Base interactions energy: -80.599
where: short stacking energy: -51.123
Base-Backbone interact. energy: -0.042
local terms energy: -52.970090
where:
bonds (distance) C4'-P energy: -9.517
bonds (distance) P-C4' energy: -10.669
flat angles C4'-P-C4' energy: -10.865
flat angles P-C4'-P energy: -6.548
tors. eta vs tors. theta energy: -15.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -125.464462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.464462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.464462 (E_RNA)
where:
Base-Base interactions energy: -70.411
where: short stacking energy: -37.935
Base-Backbone interact. energy: -0.157
local terms energy: -54.895952
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -8.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -99.353988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.353988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.353988 (E_RNA)
where:
Base-Base interactions energy: -50.614
where: short stacking energy: -34.252
Base-Backbone interact. energy: -0.109
local terms energy: -48.631221
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -6.448
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -10.415
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: 2
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -74.619043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.619043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.619043 (E_RNA)
where:
Base-Base interactions energy: -30.725
where: short stacking energy: -30.725
Base-Backbone interact. energy: -0.076
local terms energy: -43.817285
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -9.877
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -2.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -90.999355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.999355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.999355 (E_RNA)
where:
Base-Base interactions energy: -50.134
where: short stacking energy: -36.705
Base-Backbone interact. energy: 0.793
local terms energy: -41.658734
where:
bonds (distance) C4'-P energy: -8.433
bonds (distance) P-C4' energy: -7.376
flat angles C4'-P-C4' energy: -10.968
flat angles P-C4'-P energy: -7.218
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: 6, replica: 5
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -108.418754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.418754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.418754 (E_RNA)
where:
Base-Base interactions energy: -62.209
where: short stacking energy: -34.559
Base-Backbone interact. energy: -0.165
local terms energy: -46.045102
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -7.735
flat angles P-C4'-P energy: -5.011
tors. eta vs tors. theta energy: -9.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -67.777647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.777647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.777647 (E_RNA)
where:
Base-Base interactions energy: -24.805
where: short stacking energy: -15.430
Base-Backbone interact. energy: -0.309
local terms energy: -42.663490
where:
bonds (distance) C4'-P energy: -10.901
bonds (distance) P-C4' energy: -11.425
flat angles C4'-P-C4' energy: -10.833
flat angles P-C4'-P energy: -7.122
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: 8, replica: 7
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -77.871246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.871246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.871246 (E_RNA)
where:
Base-Base interactions energy: -35.371
where: short stacking energy: -35.371
Base-Backbone interact. energy: 0.126
local terms energy: -42.626461
where:
bonds (distance) C4'-P energy: -9.957
bonds (distance) P-C4' energy: -10.088
flat angles C4'-P-C4' energy: -9.781
flat angles P-C4'-P energy: -5.414
tors. eta vs tors. theta energy: -7.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -74.772553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.772553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.772553 (E_RNA)
where:
Base-Base interactions energy: -29.562
where: short stacking energy: -29.562
Base-Backbone interact. energy: 0.865
local terms energy: -46.075577
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -9.708
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -3.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -64.392628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.392628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.392628 (E_RNA)
where:
Base-Base interactions energy: -29.580
where: short stacking energy: -27.493
Base-Backbone interact. energy: 2.622
local terms energy: -37.434811
where:
bonds (distance) C4'-P energy: -8.053
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -7.044
flat angles P-C4'-P energy: -5.009
tors. eta vs tors. theta energy: -4.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -129.030994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.030994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.030994 (E_RNA)
where:
Base-Base interactions energy: -72.792
where: short stacking energy: -39.284
Base-Backbone interact. energy: -0.195
local terms energy: -56.044044
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -10.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -141.439056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.439056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.439056 (E_RNA)
where:
Base-Base interactions energy: -91.159
where: short stacking energy: -56.098
Base-Backbone interact. energy: 0.029
local terms energy: -50.309314
where:
bonds (distance) C4'-P energy: -8.549
bonds (distance) P-C4' energy: -9.403
flat angles C4'-P-C4' energy: -11.275
flat angles P-C4'-P energy: -6.707
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: 3, replica: 10
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -114.410221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.410221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.410221 (E_RNA)
where:
Base-Base interactions energy: -60.667
where: short stacking energy: -42.497
Base-Backbone interact. energy: -0.010
local terms energy: -53.733663
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -9.010
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -9.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -88.632710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.632710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.632710 (E_RNA)
where:
Base-Base interactions energy: -47.230
where: short stacking energy: -30.398
Base-Backbone interact. energy: -0.052
local terms energy: -41.350381
where:
bonds (distance) C4'-P energy: -10.789
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -7.849
flat angles P-C4'-P energy: -4.908
tors. eta vs tors. theta energy: -4.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -86.090481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.090481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.090481 (E_RNA)
where:
Base-Base interactions energy: -39.977
where: short stacking energy: -39.977
Base-Backbone interact. energy: -0.015
local terms energy: -46.098385
where:
bonds (distance) C4'-P energy: -10.885
bonds (distance) P-C4' energy: -11.963
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -4.278
tors. eta vs tors. theta energy: -6.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -86.003135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.003135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.003135 (E_RNA)
where:
Base-Base interactions energy: -40.223
where: short stacking energy: -33.372
Base-Backbone interact. energy: -1.054
local terms energy: -44.725346
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -9.968
flat angles P-C4'-P energy: -5.898
tors. eta vs tors. theta energy: -3.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -76.254107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.254107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.254107 (E_RNA)
where:
Base-Base interactions energy: -29.211
where: short stacking energy: -29.211
Base-Backbone interact. energy: -0.021
local terms energy: -47.021863
where:
bonds (distance) C4'-P energy: -10.271
bonds (distance) P-C4' energy: -9.302
flat angles C4'-P-C4' energy: -11.771
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -7.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -69.789644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.789644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.789644 (E_RNA)
where:
Base-Base interactions energy: -24.643
where: short stacking energy: -24.643
Base-Backbone interact. energy: -0.099
local terms energy: -45.047665
where:
bonds (distance) C4'-P energy: -9.658
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -7.944
flat angles P-C4'-P energy: -5.575
tors. eta vs tors. theta energy: -9.928
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: 4
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -67.415529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.415529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.415529 (E_RNA)
where:
Base-Base interactions energy: -23.005
where: short stacking energy: -23.005
Base-Backbone interact. energy: -0.129
local terms energy: -44.281837
where:
bonds (distance) C4'-P energy: -10.263
bonds (distance) P-C4' energy: -10.908
flat angles C4'-P-C4' energy: -6.407
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -8.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -77.647825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.647825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.647825 (E_RNA)
where:
Base-Base interactions energy: -31.462
where: short stacking energy: -31.462
Base-Backbone interact. energy: -0.040
local terms energy: -46.145819
where:
bonds (distance) C4'-P energy: -7.700
bonds (distance) P-C4' energy: -10.954
flat angles C4'-P-C4' energy: -9.095
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -9.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -130.600958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.600958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.600958 (E_RNA)
where:
Base-Base interactions energy: -72.817
where: short stacking energy: -40.073
Base-Backbone interact. energy: -0.003
local terms energy: -57.780866
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -10.216
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: -15.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -141.496396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.496396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.496396 (E_RNA)
where:
Base-Base interactions energy: -80.457
where: short stacking energy: -45.885
Base-Backbone interact. energy: -0.085
local terms energy: -60.954081
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -7.255
tors. eta vs tors. theta energy: -14.847
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: 10
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -98.099774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.099774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.099774 (E_RNA)
where:
Base-Base interactions energy: -50.457
where: short stacking energy: -33.654
Base-Backbone interact. energy: 0.027
local terms energy: -47.669527
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -10.427
flat angles C4'-P-C4' energy: -8.945
flat angles P-C4'-P energy: -6.706
tors. eta vs tors. theta energy: -8.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -99.806032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.806032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.806032 (E_RNA)
where:
Base-Base interactions energy: -47.225
where: short stacking energy: -46.278
Base-Backbone interact. energy: -0.390
local terms energy: -52.191051
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -10.271
flat angles C4'-P-C4' energy: -8.878
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -13.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -86.982434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.982434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.982434 (E_RNA)
where:
Base-Base interactions energy: -37.995
where: short stacking energy: -34.559
Base-Backbone interact. energy: -0.097
local terms energy: -48.889672
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -9.669
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -6.978
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: 7
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -83.006034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.006034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.006034 (E_RNA)
where:
Base-Base interactions energy: -41.639
where: short stacking energy: -31.492
Base-Backbone interact. energy: -0.032
local terms energy: -41.335281
where:
bonds (distance) C4'-P energy: -9.732
bonds (distance) P-C4' energy: -9.456
flat angles C4'-P-C4' energy: -10.103
flat angles P-C4'-P energy: -5.580
tors. eta vs tors. theta energy: -6.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -65.319269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.319269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.319269 (E_RNA)
where:
Base-Base interactions energy: -19.041
where: short stacking energy: -19.041
Base-Backbone interact. energy: -0.065
local terms energy: -46.212730
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -3.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -74.320214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.320214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.320214 (E_RNA)
where:
Base-Base interactions energy: -37.106
where: short stacking energy: -24.247
Base-Backbone interact. energy: -0.021
local terms energy: -37.193174
where:
bonds (distance) C4'-P energy: -4.119
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -11.214
flat angles P-C4'-P energy: -5.612
tors. eta vs tors. theta energy: -3.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -64.849418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.849418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.849418 (E_RNA)
where:
Base-Base interactions energy: -27.112
where: short stacking energy: -27.612
Base-Backbone interact. energy: 1.925
local terms energy: -39.661931
where:
bonds (distance) C4'-P energy: -7.741
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -3.713
tors. eta vs tors. theta energy: -3.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -66.425689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.425689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.425689 (E_RNA)
where:
Base-Base interactions energy: -23.807
where: short stacking energy: -23.807
Base-Backbone interact. energy: -0.185
local terms energy: -42.433551
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -7.224
flat angles P-C4'-P energy: -4.583
tors. eta vs tors. theta energy: -6.812
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: 3
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -132.267634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.267634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.267634 (E_RNA)
where:
Base-Base interactions energy: -76.650
where: short stacking energy: -43.112
Base-Backbone interact. energy: -0.001
local terms energy: -55.616074
where:
bonds (distance) C4'-P energy: -10.325
bonds (distance) P-C4' energy: -11.368
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -12.294
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: 1
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -144.763301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.763301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.763301 (E_RNA)
where:
Base-Base interactions energy: -84.488
where: short stacking energy: -53.848
Base-Backbone interact. energy: -0.000
local terms energy: -60.275217
where:
bonds (distance) C4'-P energy: -10.669
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -10.698
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -15.956
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: 3, replica: 2
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -120.796743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.796743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.796743 (E_RNA)
where:
Base-Base interactions energy: -73.240
where: short stacking energy: -37.278
Base-Backbone interact. energy: -0.007
local terms energy: -47.549786
where:
bonds (distance) C4'-P energy: -8.148
bonds (distance) P-C4' energy: -12.301
flat angles C4'-P-C4' energy: -10.800
flat angles P-C4'-P energy: -5.786
tors. eta vs tors. theta energy: -10.514
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: 10
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -89.351590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.351590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.351590 (E_RNA)
where:
Base-Base interactions energy: -38.954
where: short stacking energy: -33.685
Base-Backbone interact. energy: -0.005
local terms energy: -50.392754
where:
bonds (distance) C4'-P energy: -10.176
bonds (distance) P-C4' energy: -11.151
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -5.131
tors. eta vs tors. theta energy: -10.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -95.392101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.392101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.392101 (E_RNA)
where:
Base-Base interactions energy: -45.728
where: short stacking energy: -31.499
Base-Backbone interact. energy: -0.101
local terms energy: -49.563662
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -12.264
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -6.610
tors. eta vs tors. theta energy: -6.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -83.894118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.894118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.894118 (E_RNA)
where:
Base-Base interactions energy: -34.338
where: short stacking energy: -29.486
Base-Backbone interact. energy: -0.254
local terms energy: -49.302528
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -11.897
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -6.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -77.086940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.086940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.086940 (E_RNA)
where:
Base-Base interactions energy: -32.442
where: short stacking energy: -32.442
Base-Backbone interact. energy: -0.766
local terms energy: -43.879525
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -7.550
flat angles C4'-P-C4' energy: -10.920
flat angles P-C4'-P energy: -7.084
tors. eta vs tors. theta energy: -5.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -73.197374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.197374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.197374 (E_RNA)
where:
Base-Base interactions energy: -26.728
where: short stacking energy: -26.728
Base-Backbone interact. energy: -0.005
local terms energy: -46.465211
where:
bonds (distance) C4'-P energy: -9.377
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -10.364
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -6.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -72.953577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.953577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.953577 (E_RNA)
where:
Base-Base interactions energy: -27.140
where: short stacking energy: -24.163
Base-Backbone interact. energy: -0.106
local terms energy: -45.707808
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -9.577
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: -2.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -61.365087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.365087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.365087 (E_RNA)
where:
Base-Base interactions energy: -23.790
where: short stacking energy: -17.913
Base-Backbone interact. energy: -0.170
local terms energy: -37.405026
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -5.808
flat angles P-C4'-P energy: -5.338
tors. eta vs tors. theta energy: -0.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -129.921690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.921690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.921690 (E_RNA)
where:
Base-Base interactions energy: -74.466
where: short stacking energy: -46.380
Base-Backbone interact. energy: -0.005
local terms energy: -55.451494
where:
bonds (distance) C4'-P energy: -9.559
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -7.325
tors. eta vs tors. theta energy: -12.921
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: 1
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -132.590218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.590218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.590218 (E_RNA)
where:
Base-Base interactions energy: -80.167
where: short stacking energy: -47.071
Base-Backbone interact. energy: 0.337
local terms energy: -52.760311
where:
bonds (distance) C4'-P energy: -8.860
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -12.108
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: -10.990
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: 2
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -134.196316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.196316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.196316 (E_RNA)
where:
Base-Base interactions energy: -75.975
where: short stacking energy: -44.602
Base-Backbone interact. energy: -0.043
local terms energy: -58.178206
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -10.915
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -12.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -81.797979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.797979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.797979 (E_RNA)
where:
Base-Base interactions energy: -33.184
where: short stacking energy: -33.184
Base-Backbone interact. energy: -0.133
local terms energy: -48.481008
where:
bonds (distance) C4'-P energy: -10.649
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -6.903
tors. eta vs tors. theta energy: -6.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -88.363932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.363932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.363932 (E_RNA)
where:
Base-Base interactions energy: -34.838
where: short stacking energy: -34.838
Base-Backbone interact. energy: -0.068
local terms energy: -53.457583
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -8.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -82.037983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.037983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.037983 (E_RNA)
where:
Base-Base interactions energy: -34.665
where: short stacking energy: -34.665
Base-Backbone interact. energy: -0.056
local terms energy: -47.316845
where:
bonds (distance) C4'-P energy: -10.289
bonds (distance) P-C4' energy: -9.841
flat angles C4'-P-C4' energy: -10.741
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -8.887
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: 7, replica: 5
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -75.334752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.334752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.334752 (E_RNA)
where:
Base-Base interactions energy: -36.336
where: short stacking energy: -36.336
Base-Backbone interact. energy: -0.092
local terms energy: -38.906709
where:
bonds (distance) C4'-P energy: -8.652
bonds (distance) P-C4' energy: -10.470
flat angles C4'-P-C4' energy: -11.213
flat angles P-C4'-P energy: -3.348
tors. eta vs tors. theta energy: -5.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -71.998272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.998272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.998272 (E_RNA)
where:
Base-Base interactions energy: -25.785
where: short stacking energy: -20.880
Base-Backbone interact. energy: -0.213
local terms energy: -46.000979
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -5.634
tors. eta vs tors. theta energy: -4.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -57.023679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.023679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.023679 (E_RNA)
where:
Base-Base interactions energy: -26.923
where: short stacking energy: -26.175
Base-Backbone interact. energy: -0.290
local terms energy: -29.810487
where:
bonds (distance) C4'-P energy: -6.182
bonds (distance) P-C4' energy: -9.719
flat angles C4'-P-C4' energy: -10.168
flat angles P-C4'-P energy: -3.596
tors. eta vs tors. theta energy: -0.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -68.951803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.951803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.951803 (E_RNA)
where:
Base-Base interactions energy: -22.828
where: short stacking energy: -22.828
Base-Backbone interact. energy: -0.122
local terms energy: -46.001938
where:
bonds (distance) C4'-P energy: -8.659
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -4.099
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: 1, replica: 3
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -131.798978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.798978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.798978 (E_RNA)
where:
Base-Base interactions energy: -75.364
where: short stacking energy: -43.012
Base-Backbone interact. energy: -0.003
local terms energy: -56.432589
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -10.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -131.183283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.183283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.183283 (E_RNA)
where:
Base-Base interactions energy: -78.224
where: short stacking energy: -42.134
Base-Backbone interact. energy: -0.094
local terms energy: -52.865398
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -9.685
flat angles C4'-P-C4' energy: -10.024
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: -12.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -125.024140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.024140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.024140 (E_RNA)
where:
Base-Base interactions energy: -72.911
where: short stacking energy: -37.272
Base-Backbone interact. energy: -0.210
local terms energy: -51.903368
where:
bonds (distance) C4'-P energy: -7.054
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -10.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -84.757875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.757875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.757875 (E_RNA)
where:
Base-Base interactions energy: -40.471
where: short stacking energy: -40.471
Base-Backbone interact. energy: -0.089
local terms energy: -44.198007
where:
bonds (distance) C4'-P energy: -11.226
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -6.224
flat angles P-C4'-P energy: -4.674
tors. eta vs tors. theta energy: -9.000
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: 5, replica: 4
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -83.331441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.331441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.331441 (E_RNA)
where:
Base-Base interactions energy: -41.350
where: short stacking energy: -34.445
Base-Backbone interact. energy: 0.344
local terms energy: -42.324580
where:
bonds (distance) C4'-P energy: -10.156
bonds (distance) P-C4' energy: -9.905
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -6.498
tors. eta vs tors. theta energy: -3.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -91.687203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.687203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.687203 (E_RNA)
where:
Base-Base interactions energy: -38.616
where: short stacking energy: -34.353
Base-Backbone interact. energy: -0.087
local terms energy: -52.984607
where:
bonds (distance) C4'-P energy: -12.871
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -8.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -76.256877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.256877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.256877 (E_RNA)
where:
Base-Base interactions energy: -32.630
where: short stacking energy: -29.211
Base-Backbone interact. energy: -0.107
local terms energy: -43.520109
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -11.835
flat angles C4'-P-C4' energy: -8.130
flat angles P-C4'-P energy: -6.743
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: 8, replica: 5
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -69.286861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.286861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.286861 (E_RNA)
where:
Base-Base interactions energy: -27.082
where: short stacking energy: -27.082
Base-Backbone interact. energy: -0.101
local terms energy: -42.103858
where:
bonds (distance) C4'-P energy: -10.350
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -6.715
flat angles P-C4'-P energy: -7.136
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: 9, replica: 8
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -66.597160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.597160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.597160 (E_RNA)
where:
Base-Base interactions energy: -21.658
where: short stacking energy: -21.658
Base-Backbone interact. energy: -0.071
local terms energy: -44.868248
where:
bonds (distance) C4'-P energy: -10.015
bonds (distance) P-C4' energy: -10.599
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -2.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -60.738065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.738065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.738065 (E_RNA)
where:
Base-Base interactions energy: -20.901
where: short stacking energy: -20.901
Base-Backbone interact. energy: -0.017
local terms energy: -39.819956
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -8.522
flat angles C4'-P-C4' energy: -9.601
flat angles P-C4'-P energy: -6.341
tors. eta vs tors. theta energy: -2.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -107.706707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.706707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.706707 (E_RNA)
where:
Base-Base interactions energy: -60.067
where: short stacking energy: -31.053
Base-Backbone interact. energy: -0.129
local terms energy: -47.510153
where:
bonds (distance) C4'-P energy: -9.535
bonds (distance) P-C4' energy: -12.249
flat angles C4'-P-C4' energy: -9.793
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: -8.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -135.223314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.223314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.223314 (E_RNA)
where:
Base-Base interactions energy: -75.794
where: short stacking energy: -45.063
Base-Backbone interact. energy: -0.003
local terms energy: -59.425970
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -7.326
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: 2
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -114.239570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.239570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.239570 (E_RNA)
where:
Base-Base interactions energy: -58.008
where: short stacking energy: -35.103
Base-Backbone interact. energy: 0.069
local terms energy: -56.300831
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -9.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -79.458917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.458917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.458917 (E_RNA)
where:
Base-Base interactions energy: -36.664
where: short stacking energy: -36.383
Base-Backbone interact. energy: -0.087
local terms energy: -42.707917
where:
bonds (distance) C4'-P energy: -9.543
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -7.222
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -5.209
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: 7
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -76.619031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.619031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.619031 (E_RNA)
where:
Base-Base interactions energy: -34.725
where: short stacking energy: -34.725
Base-Backbone interact. energy: -0.071
local terms energy: -41.823034
where:
bonds (distance) C4'-P energy: -4.758
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -4.106
tors. eta vs tors. theta energy: -6.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -88.379362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.379362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.379362 (E_RNA)
where:
Base-Base interactions energy: -40.623
where: short stacking energy: -40.623
Base-Backbone interact. energy: -0.215
local terms energy: -47.541483
where:
bonds (distance) C4'-P energy: -9.588
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -4.720
tors. eta vs tors. theta energy: -9.341
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: 10
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -73.072709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.072709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.072709 (E_RNA)
where:
Base-Base interactions energy: -29.788
where: short stacking energy: -29.788
Base-Backbone interact. energy: -0.136
local terms energy: -43.148885
where:
bonds (distance) C4'-P energy: -8.851
bonds (distance) P-C4' energy: -9.362
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -2.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -71.141657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.141657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.141657 (E_RNA)
where:
Base-Base interactions energy: -25.081
where: short stacking energy: -25.081
Base-Backbone interact. energy: -0.050
local terms energy: -46.011157
where:
bonds (distance) C4'-P energy: -9.746
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -3.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -66.487669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.487669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.487669 (E_RNA)
where:
Base-Base interactions energy: -22.909
where: short stacking energy: -22.909
Base-Backbone interact. energy: 0.216
local terms energy: -43.794559
where:
bonds (distance) C4'-P energy: -9.080
bonds (distance) P-C4' energy: -10.581
flat angles C4'-P-C4' energy: -7.329
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -8.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -56.749102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.749102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.749102 (E_RNA)
where:
Base-Base interactions energy: -21.644
where: short stacking energy: -9.781
Base-Backbone interact. energy: 1.861
local terms energy: -36.965989
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -9.932
flat angles C4'-P-C4' energy: -9.514
flat angles P-C4'-P energy: -9.490
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: 1
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -139.026214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.026214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.026214 (E_RNA)
where:
Base-Base interactions energy: -78.048
where: short stacking energy: -48.502
Base-Backbone interact. energy: -0.005
local terms energy: -60.973072
where:
bonds (distance) C4'-P energy: -9.137
bonds (distance) P-C4' energy: -11.317
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -10.642
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: 2, replica: 3
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -130.345530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.345530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.345530 (E_RNA)
where:
Base-Base interactions energy: -71.537
where: short stacking energy: -39.187
Base-Backbone interact. energy: -0.097
local terms energy: -58.711086
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -10.682
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -10.452
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: 3, replica: 2
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -120.521333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.521333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.521333 (E_RNA)
where:
Base-Base interactions energy: -68.485
where: short stacking energy: -39.726
Base-Backbone interact. energy: -0.093
local terms energy: -51.943057
where:
bonds (distance) C4'-P energy: -9.895
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -10.690
flat angles P-C4'-P energy: -6.014
tors. eta vs tors. theta energy: -12.297
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: 4
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -85.267035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.267035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.267035 (E_RNA)
where:
Base-Base interactions energy: -33.364
where: short stacking energy: -33.364
Base-Backbone interact. energy: -0.035
local terms energy: -51.868076
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -9.930
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: 5, replica: 6
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -78.239756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.239756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.239756 (E_RNA)
where:
Base-Base interactions energy: -34.591
where: short stacking energy: -34.591
Base-Backbone interact. energy: -0.023
local terms energy: -43.626327
where:
bonds (distance) C4'-P energy: -8.513
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -6.583
tors. eta vs tors. theta energy: -6.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -81.499904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.499904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.499904 (E_RNA)
where:
Base-Base interactions energy: -32.900
where: short stacking energy: -32.900
Base-Backbone interact. energy: -0.162
local terms energy: -48.437060
where:
bonds (distance) C4'-P energy: -9.543
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -5.074
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: 7, replica: 8
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -74.344010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.344010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.344010 (E_RNA)
where:
Base-Base interactions energy: -26.920
where: short stacking energy: -26.849
Base-Backbone interact. energy: -0.269
local terms energy: -47.154954
where:
bonds (distance) C4'-P energy: -6.251
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -4.758
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: 386
Temperature: 1.250000
Total energy: -81.984122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.984122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.984122 (E_RNA)
where:
Base-Base interactions energy: -39.469
where: short stacking energy: -38.524
Base-Backbone interact. energy: -0.038
local terms energy: -42.477705
where:
bonds (distance) C4'-P energy: -7.501
bonds (distance) P-C4' energy: -10.848
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -3.257
tors. eta vs tors. theta energy: -8.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -60.814899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.814899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.814899 (E_RNA)
where:
Base-Base interactions energy: -33.678
where: short stacking energy: -27.836
Base-Backbone interact. energy: 1.521
local terms energy: -28.657789
where:
bonds (distance) C4'-P energy: -0.599
bonds (distance) P-C4' energy: -9.212
flat angles C4'-P-C4' energy: -11.468
flat angles P-C4'-P energy: -6.432
tors. eta vs tors. theta energy: -0.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -58.484264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.484264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.484264 (E_RNA)
where:
Base-Base interactions energy: -18.723
where: short stacking energy: -16.699
Base-Backbone interact. energy: -0.128
local terms energy: -39.632904
where:
bonds (distance) C4'-P energy: -10.487
bonds (distance) P-C4' energy: -9.518
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: -0.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -139.011767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.011767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.011767 (E_RNA)
where:
Base-Base interactions energy: -84.396
where: short stacking energy: -55.866
Base-Backbone interact. energy: -0.007
local terms energy: -54.608751
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -10.887
flat angles C4'-P-C4' energy: -9.500
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -13.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -123.704767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.704767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.704767 (E_RNA)
where:
Base-Base interactions energy: -71.374
where: short stacking energy: -40.657
Base-Backbone interact. energy: -0.136
local terms energy: -52.194909
where:
bonds (distance) C4'-P energy: -10.216
bonds (distance) P-C4' energy: -11.615
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -12.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -115.327186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.327186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.327186 (E_RNA)
where:
Base-Base interactions energy: -66.545
where: short stacking energy: -37.857
Base-Backbone interact. energy: -0.170
local terms energy: -48.611684
where:
bonds (distance) C4'-P energy: -12.093
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -6.802
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -7.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -83.614529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.614529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.614529 (E_RNA)
where:
Base-Base interactions energy: -29.605
where: short stacking energy: -29.605
Base-Backbone interact. energy: -0.002
local terms energy: -54.007187
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -11.948
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -9.499
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: 5, replica: 4
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -90.332442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.332442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.332442 (E_RNA)
where:
Base-Base interactions energy: -35.787
where: short stacking energy: -35.787
Base-Backbone interact. energy: -0.121
local terms energy: -54.424580
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -10.210
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -9.738
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: 7
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -66.307970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.307970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.307970 (E_RNA)
where:
Base-Base interactions energy: -26.341
where: short stacking energy: -26.341
Base-Backbone interact. energy: -0.091
local terms energy: -39.875993
where:
bonds (distance) C4'-P energy: -10.416
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -10.493
flat angles P-C4'-P energy: -6.445
tors. eta vs tors. theta energy: -0.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -71.261128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.261128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.261128 (E_RNA)
where:
Base-Base interactions energy: -29.536
where: short stacking energy: -23.919
Base-Backbone interact. energy: 0.499
local terms energy: -42.224969
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -9.710
flat angles C4'-P-C4' energy: -10.237
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -1.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -78.044961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.044961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.044961 (E_RNA)
where:
Base-Base interactions energy: -31.777
where: short stacking energy: -31.777
Base-Backbone interact. energy: -0.017
local terms energy: -46.251167
where:
bonds (distance) C4'-P energy: -9.328
bonds (distance) P-C4' energy: -10.580
flat angles C4'-P-C4' energy: -10.999
flat angles P-C4'-P energy: -6.421
tors. eta vs tors. theta energy: -8.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -69.087868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.087868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.087868 (E_RNA)
where:
Base-Base interactions energy: -25.402
where: short stacking energy: -24.706
Base-Backbone interact. energy: -0.140
local terms energy: -43.546250
where:
bonds (distance) C4'-P energy: -11.198
bonds (distance) P-C4' energy: -8.989
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -5.704
tors. eta vs tors. theta energy: -6.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -68.745388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.745388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.745388 (E_RNA)
where:
Base-Base interactions energy: -29.480
where: short stacking energy: -29.480
Base-Backbone interact. energy: -0.117
local terms energy: -39.147653
where:
bonds (distance) C4'-P energy: -10.237
bonds (distance) P-C4' energy: -7.010
flat angles C4'-P-C4' energy: -8.438
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: -6.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -144.519705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.519705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.519705 (E_RNA)
where:
Base-Base interactions energy: -82.669
where: short stacking energy: -49.710
Base-Backbone interact. energy: -0.000
local terms energy: -61.850250
where:
bonds (distance) C4'-P energy: -10.412
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -13.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -132.700423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.700423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.700423 (E_RNA)
where:
Base-Base interactions energy: -75.911
where: short stacking energy: -47.262
Base-Backbone interact. energy: -0.184
local terms energy: -56.605046
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -9.884
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -11.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -86.655111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.655111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.655111 (E_RNA)
where:
Base-Base interactions energy: -35.646
where: short stacking energy: -35.646
Base-Backbone interact. energy: -0.007
local terms energy: -51.001693
where:
bonds (distance) C4'-P energy: -9.472
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -9.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -116.266135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.266135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.266135 (E_RNA)
where:
Base-Base interactions energy: -65.321
where: short stacking energy: -33.691
Base-Backbone interact. energy: 0.067
local terms energy: -51.012410
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -11.592
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -6.744
tors. eta vs tors. theta energy: -7.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -79.313778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.313778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.313778 (E_RNA)
where:
Base-Base interactions energy: -35.454
where: short stacking energy: -31.160
Base-Backbone interact. energy: -0.268
local terms energy: -43.591557
where:
bonds (distance) C4'-P energy: -9.179
bonds (distance) P-C4' energy: -10.830
flat angles C4'-P-C4' energy: -6.655
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -9.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -75.440280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.440280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.440280 (E_RNA)
where:
Base-Base interactions energy: -29.380
where: short stacking energy: -29.380
Base-Backbone interact. energy: -0.015
local terms energy: -46.044869
where:
bonds (distance) C4'-P energy: -7.616
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -9.809
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -8.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -74.868633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.868633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.868633 (E_RNA)
where:
Base-Base interactions energy: -28.670
where: short stacking energy: -28.670
Base-Backbone interact. energy: -0.109
local terms energy: -46.088978
where:
bonds (distance) C4'-P energy: -10.627
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -8.075
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -7.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -82.556507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.556507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.556507 (E_RNA)
where:
Base-Base interactions energy: -30.531
where: short stacking energy: -30.531
Base-Backbone interact. energy: -0.130
local terms energy: -51.896340
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -11.638
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -7.803
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: 5
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -65.754327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.754327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.754327 (E_RNA)
where:
Base-Base interactions energy: -28.488
where: short stacking energy: -28.102
Base-Backbone interact. energy: -0.107
local terms energy: -37.159819
where:
bonds (distance) C4'-P energy: -9.389
bonds (distance) P-C4' energy: -12.431
flat angles C4'-P-C4' energy: -10.142
flat angles P-C4'-P energy: -2.813
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: 10, replica: 9
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -57.999908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.999908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.999908 (E_RNA)
where:
Base-Base interactions energy: -18.299
where: short stacking energy: -18.299
Base-Backbone interact. energy: -0.209
local terms energy: -39.491760
where:
bonds (distance) C4'-P energy: -9.799
bonds (distance) P-C4' energy: -12.054
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -2.897
tors. eta vs tors. theta energy: -3.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -129.399624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.399624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.399624 (E_RNA)
where:
Base-Base interactions energy: -77.490
where: short stacking energy: -43.916
Base-Backbone interact. energy: -0.065
local terms energy: -51.845054
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -9.471
flat angles C4'-P-C4' energy: -11.110
flat angles P-C4'-P energy: -5.973
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: 2, replica: 3
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -140.360738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.360738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.360738 (E_RNA)
where:
Base-Base interactions energy: -79.621
where: short stacking energy: -48.703
Base-Backbone interact. energy: -0.008
local terms energy: -60.731730
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -7.719
flat angles P-C4'-P energy: -10.324
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: 3, replica: 6
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -96.357342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.357342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.357342 (E_RNA)
where:
Base-Base interactions energy: -39.883
where: short stacking energy: -39.883
Base-Backbone interact. energy: -0.000
local terms energy: -56.473825
where:
bonds (distance) C4'-P energy: -13.124
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -11.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -116.185778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.185778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.185778 (E_RNA)
where:
Base-Base interactions energy: -65.219
where: short stacking energy: -36.772
Base-Backbone interact. energy: -0.191
local terms energy: -50.775753
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -8.098
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -9.987
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: 5, replica: 7
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -81.094894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.094894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.094894 (E_RNA)
where:
Base-Base interactions energy: -32.934
where: short stacking energy: -32.934
Base-Backbone interact. energy: -0.051
local terms energy: -48.109421
where:
bonds (distance) C4'-P energy: -10.615
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -6.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -76.566680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.566680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.566680 (E_RNA)
where:
Base-Base interactions energy: -33.207
where: short stacking energy: -33.207
Base-Backbone interact. energy: -0.005
local terms energy: -43.355293
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -10.743
flat angles C4'-P-C4' energy: -7.050
flat angles P-C4'-P energy: -6.868
tors. eta vs tors. theta energy: -6.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -75.167726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.167726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.167726 (E_RNA)
where:
Base-Base interactions energy: -32.235
where: short stacking energy: -32.235
Base-Backbone interact. energy: -1.509
local terms energy: -41.423971
where:
bonds (distance) C4'-P energy: -10.221
bonds (distance) P-C4' energy: -11.517
flat angles C4'-P-C4' energy: -10.019
flat angles P-C4'-P energy: -4.480
tors. eta vs tors. theta energy: -5.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -78.621520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.621520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.621520 (E_RNA)
where:
Base-Base interactions energy: -37.713
where: short stacking energy: -27.107
Base-Backbone interact. energy: -0.018
local terms energy: -40.889911
where:
bonds (distance) C4'-P energy: -8.876
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -8.140
flat angles P-C4'-P energy: -6.177
tors. eta vs tors. theta energy: -5.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -65.781932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.781932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.781932 (E_RNA)
where:
Base-Base interactions energy: -24.110
where: short stacking energy: -24.110
Base-Backbone interact. energy: -0.061
local terms energy: -41.610861
where:
bonds (distance) C4'-P energy: -8.823
bonds (distance) P-C4' energy: -9.649
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -4.002
tors. eta vs tors. theta energy: -6.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -65.357127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.357127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.357127 (E_RNA)
where:
Base-Base interactions energy: -24.342
where: short stacking energy: -24.342
Base-Backbone interact. energy: -0.128
local terms energy: -40.887135
where:
bonds (distance) C4'-P energy: -8.264
bonds (distance) P-C4' energy: -10.598
flat angles C4'-P-C4' energy: -8.955
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -2.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -129.019137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.019137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.019137 (E_RNA)
where:
Base-Base interactions energy: -73.500
where: short stacking energy: -45.210
Base-Backbone interact. energy: -0.126
local terms energy: -55.392712
where:
bonds (distance) C4'-P energy: -10.764
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -11.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -129.963317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.963317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.963317 (E_RNA)
where:
Base-Base interactions energy: -75.933
where: short stacking energy: -47.109
Base-Backbone interact. energy: -0.000
local terms energy: -54.029688
where:
bonds (distance) C4'-P energy: -9.307
bonds (distance) P-C4' energy: -9.716
flat angles C4'-P-C4' energy: -10.786
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -14.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -116.460438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.460438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.460438 (E_RNA)
where:
Base-Base interactions energy: -63.115
where: short stacking energy: -36.658
Base-Backbone interact. energy: -0.080
local terms energy: -53.265191
where:
bonds (distance) C4'-P energy: -8.065
bonds (distance) P-C4' energy: -14.475
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -5.610
tors. eta vs tors. theta energy: -12.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -88.295758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.295758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.295758 (E_RNA)
where:
Base-Base interactions energy: -40.589
where: short stacking energy: -40.589
Base-Backbone interact. energy: -0.003
local terms energy: -47.703519
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -11.863
flat angles C4'-P-C4' energy: -11.465
flat angles P-C4'-P energy: -3.046
tors. eta vs tors. theta energy: -8.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -83.257722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.257722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.257722 (E_RNA)
where:
Base-Base interactions energy: -35.034
where: short stacking energy: -35.631
Base-Backbone interact. energy: -0.004
local terms energy: -48.218999
where:
bonds (distance) C4'-P energy: -7.643
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -6.737
tors. eta vs tors. theta energy: -9.406
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: 7
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -72.590218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.590218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.590218 (E_RNA)
where:
Base-Base interactions energy: -32.072
where: short stacking energy: -32.072
Base-Backbone interact. energy: -0.291
local terms energy: -40.227022
where:
bonds (distance) C4'-P energy: -9.390
bonds (distance) P-C4' energy: -10.394
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -3.012
tors. eta vs tors. theta energy: -6.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -97.497296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.497296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.497296 (E_RNA)
where:
Base-Base interactions energy: -50.074
where: short stacking energy: -26.483
Base-Backbone interact. energy: -0.104
local terms energy: -47.318619
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -9.300
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -4.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -64.024437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.024437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.024437 (E_RNA)
where:
Base-Base interactions energy: -26.558
where: short stacking energy: -25.943
Base-Backbone interact. energy: -0.275
local terms energy: -37.191743
where:
bonds (distance) C4'-P energy: -7.013
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -2.786
tors. eta vs tors. theta energy: -3.097
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: 9
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -65.585879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.585879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.585879 (E_RNA)
where:
Base-Base interactions energy: -28.901
where: short stacking energy: -28.901
Base-Backbone interact. energy: -0.074
local terms energy: -36.610969
where:
bonds (distance) C4'-P energy: -8.367
bonds (distance) P-C4' energy: -9.520
flat angles C4'-P-C4' energy: -8.658
flat angles P-C4'-P energy: -6.664
tors. eta vs tors. theta energy: -3.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -68.485474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.485474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.485474 (E_RNA)
where:
Base-Base interactions energy: -26.735
where: short stacking energy: -26.735
Base-Backbone interact. energy: -0.196
local terms energy: -41.554429
where:
bonds (distance) C4'-P energy: -7.308
bonds (distance) P-C4' energy: -9.476
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -8.395
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: 1, replica: 3
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -137.509233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.509233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.509233 (E_RNA)
where:
Base-Base interactions energy: -77.980
where: short stacking energy: -48.330
Base-Backbone interact. energy: -0.015
local terms energy: -59.514640
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -14.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -137.762642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.762642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.762642 (E_RNA)
where:
Base-Base interactions energy: -80.030
where: short stacking energy: -48.443
Base-Backbone interact. energy: -0.024
local terms energy: -57.707838
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -11.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -131.562115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.562115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.562115 (E_RNA)
where:
Base-Base interactions energy: -73.546
where: short stacking energy: -50.216
Base-Backbone interact. energy: -0.030
local terms energy: -57.985883
where:
bonds (distance) C4'-P energy: -8.486
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -12.615
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -14.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -89.776856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.776856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.776856 (E_RNA)
where:
Base-Base interactions energy: -37.456
where: short stacking energy: -37.456
Base-Backbone interact. energy: -0.099
local terms energy: -52.221975
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -7.647
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -12.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -87.585927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.585927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.585927 (E_RNA)
where:
Base-Base interactions energy: -35.895
where: short stacking energy: -33.687
Base-Backbone interact. energy: -0.016
local terms energy: -51.674709
where:
bonds (distance) C4'-P energy: -10.673
bonds (distance) P-C4' energy: -9.802
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -9.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -96.221901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.221901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.221901 (E_RNA)
where:
Base-Base interactions energy: -51.936
where: short stacking energy: -25.252
Base-Backbone interact. energy: -0.035
local terms energy: -44.251309
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -10.286
flat angles P-C4'-P energy: -6.163
tors. eta vs tors. theta energy: -4.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -79.978851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.978851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.978851 (E_RNA)
where:
Base-Base interactions energy: -33.730
where: short stacking energy: -24.646
Base-Backbone interact. energy: -0.009
local terms energy: -46.239808
where:
bonds (distance) C4'-P energy: -5.635
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -10.289
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -6.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -77.318317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.318317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.318317 (E_RNA)
where:
Base-Base interactions energy: -30.770
where: short stacking energy: -17.609
Base-Backbone interact. energy: -0.096
local terms energy: -46.452270
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -12.924
flat angles C4'-P-C4' energy: -11.030
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -1.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -78.065278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.065278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.065278 (E_RNA)
where:
Base-Base interactions energy: -30.028
where: short stacking energy: -30.028
Base-Backbone interact. energy: -0.014
local terms energy: -48.023137
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -9.817
flat angles P-C4'-P energy: -8.625
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: 8
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -63.662968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.662968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.662968 (E_RNA)
where:
Base-Base interactions energy: -21.810
where: short stacking energy: -21.810
Base-Backbone interact. energy: -0.025
local terms energy: -41.828052
where:
bonds (distance) C4'-P energy: -10.433
bonds (distance) P-C4' energy: -9.985
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: -1.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -146.740063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.740063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.740063 (E_RNA)
where:
Base-Base interactions energy: -87.792
where: short stacking energy: -56.752
Base-Backbone interact. energy: -0.041
local terms energy: -58.906554
where:
bonds (distance) C4'-P energy: -12.333
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -5.283
tors. eta vs tors. theta energy: -14.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -130.962612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.962612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.962612 (E_RNA)
where:
Base-Base interactions energy: -75.865
where: short stacking energy: -41.955
Base-Backbone interact. energy: -0.008
local terms energy: -55.088777
where:
bonds (distance) C4'-P energy: -9.968
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -5.719
tors. eta vs tors. theta energy: -13.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -132.422993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.422993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.422993 (E_RNA)
where:
Base-Base interactions energy: -77.301
where: short stacking energy: -49.081
Base-Backbone interact. energy: -0.011
local terms energy: -55.111748
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -7.263
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -11.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -98.124193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.124193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.124193 (E_RNA)
where:
Base-Base interactions energy: -41.838
where: short stacking energy: -41.838
Base-Backbone interact. energy: -0.071
local terms energy: -56.215751
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -9.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -83.031002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.031002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.031002 (E_RNA)
where:
Base-Base interactions energy: -38.010
where: short stacking energy: -32.133
Base-Backbone interact. energy: 0.053
local terms energy: -45.073711
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -2.758
tors. eta vs tors. theta energy: -5.590
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: 6, replica: 6
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -78.835113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.835113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.835113 (E_RNA)
where:
Base-Base interactions energy: -39.254
where: short stacking energy: -39.254
Base-Backbone interact. energy: -0.003
local terms energy: -39.578470
where:
bonds (distance) C4'-P energy: -7.633
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -8.750
flat angles P-C4'-P energy: -3.351
tors. eta vs tors. theta energy: -8.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -103.640524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.640524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.640524 (E_RNA)
where:
Base-Base interactions energy: -65.006
where: short stacking energy: -36.333
Base-Backbone interact. energy: -0.002
local terms energy: -38.632409
where:
bonds (distance) C4'-P energy: -4.355
bonds (distance) P-C4' energy: -7.592
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -4.601
tors. eta vs tors. theta energy: -8.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -77.138488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.138488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.138488 (E_RNA)
where:
Base-Base interactions energy: -38.422
where: short stacking energy: -28.699
Base-Backbone interact. energy: -0.095
local terms energy: -38.621729
where:
bonds (distance) C4'-P energy: -5.897
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -11.100
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: -2.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -68.833095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.833095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.833095 (E_RNA)
where:
Base-Base interactions energy: -23.869
where: short stacking energy: -23.869
Base-Backbone interact. energy: -0.054
local terms energy: -44.910217
where:
bonds (distance) C4'-P energy: -9.998
bonds (distance) P-C4' energy: -10.086
flat angles C4'-P-C4' energy: -10.203
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -4.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -56.598863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.598863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.598863 (E_RNA)
where:
Base-Base interactions energy: -23.869
where: short stacking energy: -18.107
Base-Backbone interact. energy: 0.317
local terms energy: -33.046255
where:
bonds (distance) C4'-P energy: -6.210
bonds (distance) P-C4' energy: -7.744
flat angles C4'-P-C4' energy: -8.564
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -2.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -135.061186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.061186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.061186 (E_RNA)
where:
Base-Base interactions energy: -76.762
where: short stacking energy: -49.591
Base-Backbone interact. energy: -0.047
local terms energy: -58.252363
where:
bonds (distance) C4'-P energy: -11.112
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -13.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -131.029871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.029871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.029871 (E_RNA)
where:
Base-Base interactions energy: -80.657
where: short stacking energy: -50.827
Base-Backbone interact. energy: -0.006
local terms energy: -50.366779
where:
bonds (distance) C4'-P energy: -7.357
bonds (distance) P-C4' energy: -10.379
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -8.931
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: 3, replica: 2
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -132.054503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.054503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.054503 (E_RNA)
where:
Base-Base interactions energy: -75.881
where: short stacking energy: -45.978
Base-Backbone interact. energy: -0.022
local terms energy: -56.151035
where:
bonds (distance) C4'-P energy: -10.955
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -11.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -89.694841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.694841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.694841 (E_RNA)
where:
Base-Base interactions energy: -43.454
where: short stacking energy: -37.966
Base-Backbone interact. energy: 0.196
local terms energy: -46.436845
where:
bonds (distance) C4'-P energy: -5.883
bonds (distance) P-C4' energy: -12.601
flat angles C4'-P-C4' energy: -8.973
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -9.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -84.418535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.418535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.418535 (E_RNA)
where:
Base-Base interactions energy: -34.574
where: short stacking energy: -34.574
Base-Backbone interact. energy: -0.067
local terms energy: -49.777970
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -9.948
flat angles P-C4'-P energy: -6.772
tors. eta vs tors. theta energy: -8.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -112.252938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.252938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.252938 (E_RNA)
where:
Base-Base interactions energy: -62.203
where: short stacking energy: -35.713
Base-Backbone interact. energy: -0.100
local terms energy: -49.949209
where:
bonds (distance) C4'-P energy: -10.143
bonds (distance) P-C4' energy: -10.809
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -6.578
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: 7, replica: 6
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -80.115027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.115027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.115027 (E_RNA)
where:
Base-Base interactions energy: -32.334
where: short stacking energy: -32.334
Base-Backbone interact. energy: -0.228
local terms energy: -47.553471
where:
bonds (distance) C4'-P energy: -10.714
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -11.260
flat angles P-C4'-P energy: -3.263
tors. eta vs tors. theta energy: -8.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -69.099232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.099232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.099232 (E_RNA)
where:
Base-Base interactions energy: -28.643
where: short stacking energy: -24.238
Base-Backbone interact. energy: 0.196
local terms energy: -40.651990
where:
bonds (distance) C4'-P energy: -9.472
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -9.196
flat angles P-C4'-P energy: -7.378
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: 9, replica: 9
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -58.993523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.993523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.993523 (E_RNA)
where:
Base-Base interactions energy: -24.873
where: short stacking energy: -16.336
Base-Backbone interact. energy: -0.272
local terms energy: -33.848704
where:
bonds (distance) C4'-P energy: -8.893
bonds (distance) P-C4' energy: -10.591
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -6.577
tors. eta vs tors. theta energy: 3.610
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: 393
Temperature: 1.350000
Total energy: -60.495623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.495623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.495623 (E_RNA)
where:
Base-Base interactions energy: -30.790
where: short stacking energy: -30.790
Base-Backbone interact. energy: -0.000
local terms energy: -29.705457
where:
bonds (distance) C4'-P energy: -8.615
bonds (distance) P-C4' energy: -9.841
flat angles C4'-P-C4' energy: -3.481
flat angles P-C4'-P energy: -2.920
tors. eta vs tors. theta energy: -4.850
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: 3
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -128.287858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.287858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.287858 (E_RNA)
where:
Base-Base interactions energy: -71.921
where: short stacking energy: -38.484
Base-Backbone interact. energy: -0.036
local terms energy: -56.331174
where:
bonds (distance) C4'-P energy: -10.938
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -12.987
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: 2, replica: 1
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -145.576118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.576118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.576118 (E_RNA)
where:
Base-Base interactions energy: -85.277
where: short stacking energy: -51.630
Base-Backbone interact. energy: -0.027
local terms energy: -60.272453
where:
bonds (distance) C4'-P energy: -11.364
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -11.468
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -13.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -130.926704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.926704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.926704 (E_RNA)
where:
Base-Base interactions energy: -76.233
where: short stacking energy: -41.782
Base-Backbone interact. energy: -0.025
local terms energy: -54.668696
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -10.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -93.403520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.403520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.403520 (E_RNA)
where:
Base-Base interactions energy: -42.900
where: short stacking energy: -38.690
Base-Backbone interact. energy: -0.101
local terms energy: -50.403150
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -10.468
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -6.146
tors. eta vs tors. theta energy: -7.569
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: 5, replica: 7
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -110.892372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.892372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.892372 (E_RNA)
where:
Base-Base interactions energy: -56.847
where: short stacking energy: -33.860
Base-Backbone interact. energy: -0.032
local terms energy: -54.013075
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -7.815
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: 6, replica: 10
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -83.106686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.106686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.106686 (E_RNA)
where:
Base-Base interactions energy: -35.803
where: short stacking energy: -35.803
Base-Backbone interact. energy: 0.583
local terms energy: -47.886462
where:
bonds (distance) C4'-P energy: -9.357
bonds (distance) P-C4' energy: -10.715
flat angles C4'-P-C4' energy: -10.810
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -10.550
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: 6
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -79.445264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.445264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.445264 (E_RNA)
where:
Base-Base interactions energy: -32.954
where: short stacking energy: -34.419
Base-Backbone interact. energy: -0.057
local terms energy: -46.434994
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -11.015
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -4.297
tors. eta vs tors. theta energy: -7.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -67.396141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.396141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.396141 (E_RNA)
where:
Base-Base interactions energy: -30.394
where: short stacking energy: -27.022
Base-Backbone interact. energy: -0.050
local terms energy: -36.952082
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -9.475
flat angles C4'-P-C4' energy: -7.627
flat angles P-C4'-P energy: -4.535
tors. eta vs tors. theta energy: -3.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -68.141351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.141351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.141351 (E_RNA)
where:
Base-Base interactions energy: -27.451
where: short stacking energy: -27.451
Base-Backbone interact. energy: -0.089
local terms energy: -40.601845
where:
bonds (distance) C4'-P energy: -10.159
bonds (distance) P-C4' energy: -10.334
flat angles C4'-P-C4' energy: -9.274
flat angles P-C4'-P energy: -5.231
tors. eta vs tors. theta energy: -5.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -75.743171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.743171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.743171 (E_RNA)
where:
Base-Base interactions energy: -33.541
where: short stacking energy: -18.686
Base-Backbone interact. energy: -0.114
local terms energy: -42.088548
where:
bonds (distance) C4'-P energy: -10.172
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -10.923
flat angles P-C4'-P energy: -6.656
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: 1, replica: 3
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -137.944886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.944886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.944886 (E_RNA)
where:
Base-Base interactions energy: -81.354
where: short stacking energy: -45.940
Base-Backbone interact. energy: -0.005
local terms energy: -56.585936
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -9.908
flat angles C4'-P-C4' energy: -10.368
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -14.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -137.548476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.548476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.548476 (E_RNA)
where:
Base-Base interactions energy: -78.258
where: short stacking energy: -48.576
Base-Backbone interact. energy: -0.101
local terms energy: -59.189169
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -9.695
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -14.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -143.763101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.763101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.763101 (E_RNA)
where:
Base-Base interactions energy: -84.025
where: short stacking energy: -51.266
Base-Backbone interact. energy: -0.040
local terms energy: -59.698762
where:
bonds (distance) C4'-P energy: -12.147
bonds (distance) P-C4' energy: -10.335
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -14.041
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: 4, replica: 7
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -121.824504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.824504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.824504 (E_RNA)
where:
Base-Base interactions energy: -68.971
where: short stacking energy: -45.776
Base-Backbone interact. energy: -0.090
local terms energy: -52.763606
where:
bonds (distance) C4'-P energy: -8.793
bonds (distance) P-C4' energy: -10.944
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -14.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -81.533443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.533443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.533443 (E_RNA)
where:
Base-Base interactions energy: -32.435
where: short stacking energy: -32.435
Base-Backbone interact. energy: -0.075
local terms energy: -49.023178
where:
bonds (distance) C4'-P energy: -9.890
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -6.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -92.252801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.252801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.252801 (E_RNA)
where:
Base-Base interactions energy: -41.036
where: short stacking energy: -41.036
Base-Backbone interact. energy: -0.095
local terms energy: -51.121065
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -10.974
flat angles C4'-P-C4' energy: -11.277
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -10.132
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: 7, replica: 10
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -75.814879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.814879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.814879 (E_RNA)
where:
Base-Base interactions energy: -29.631
where: short stacking energy: -26.616
Base-Backbone interact. energy: -0.020
local terms energy: -46.163886
where:
bonds (distance) C4'-P energy: -9.419
bonds (distance) P-C4' energy: -10.872
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -5.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -79.950350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.950350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.950350 (E_RNA)
where:
Base-Base interactions energy: -34.053
where: short stacking energy: -34.053
Base-Backbone interact. energy: -0.078
local terms energy: -45.819781
where:
bonds (distance) C4'-P energy: -10.554
bonds (distance) P-C4' energy: -9.176
flat angles C4'-P-C4' energy: -10.913
flat angles P-C4'-P energy: -7.649
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: 4
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -66.999846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.999846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.999846 (E_RNA)
where:
Base-Base interactions energy: -21.979
where: short stacking energy: -20.999
Base-Backbone interact. energy: -0.091
local terms energy: -44.929719
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -11.331
flat angles P-C4'-P energy: -6.919
tors. eta vs tors. theta energy: -1.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -66.227607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.227607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.227607 (E_RNA)
where:
Base-Base interactions energy: -19.318
where: short stacking energy: -19.297
Base-Backbone interact. energy: -0.127
local terms energy: -46.781801
where:
bonds (distance) C4'-P energy: -11.231
bonds (distance) P-C4' energy: -11.705
flat angles C4'-P-C4' energy: -10.498
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: -5.259
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: 1, replica: 2
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -124.257865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.257865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.257865 (E_RNA)
where:
Base-Base interactions energy: -69.008
where: short stacking energy: -41.980
Base-Backbone interact. energy: -0.581
local terms energy: -54.669228
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -7.057
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: 2, replica: 3
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -130.464670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.464670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.464670 (E_RNA)
where:
Base-Base interactions energy: -78.440
where: short stacking energy: -47.124
Base-Backbone interact. energy: -0.075
local terms energy: -51.949588
where:
bonds (distance) C4'-P energy: -12.536
bonds (distance) P-C4' energy: -8.344
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -3.269
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: 3, replica: 7
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -131.468479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.468479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.468479 (E_RNA)
where:
Base-Base interactions energy: -79.422
where: short stacking energy: -46.482
Base-Backbone interact. energy: -0.039
local terms energy: -52.007719
where:
bonds (distance) C4'-P energy: -9.584
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -9.914
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -11.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -131.902917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.902917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.902917 (E_RNA)
where:
Base-Base interactions energy: -74.641
where: short stacking energy: -47.979
Base-Backbone interact. energy: -0.054
local terms energy: -57.208583
where:
bonds (distance) C4'-P energy: -9.340
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -12.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -88.545106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.545106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.545106 (E_RNA)
where:
Base-Base interactions energy: -38.618
where: short stacking energy: -26.590
Base-Backbone interact. energy: -0.042
local terms energy: -49.885622
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -5.426
tors. eta vs tors. theta energy: -8.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -82.942264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.942264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.942264 (E_RNA)
where:
Base-Base interactions energy: -30.274
where: short stacking energy: -30.274
Base-Backbone interact. energy: -0.229
local terms energy: -52.439097
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -6.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -77.146047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.146047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.146047 (E_RNA)
where:
Base-Base interactions energy: -36.135
where: short stacking energy: -28.756
Base-Backbone interact. energy: -0.155
local terms energy: -40.856547
where:
bonds (distance) C4'-P energy: -8.023
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -9.891
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -2.691
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: 10
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -81.160576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.160576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.160576 (E_RNA)
where:
Base-Base interactions energy: -32.281
where: short stacking energy: -20.751
Base-Backbone interact. energy: -0.081
local terms energy: -48.798888
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -9.763
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -2.279
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: 9, replica: 9
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -60.852070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.852070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.852070 (E_RNA)
where:
Base-Base interactions energy: -20.602
where: short stacking energy: -20.602
Base-Backbone interact. energy: -0.266
local terms energy: -39.984171
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -9.591
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -5.641
tors. eta vs tors. theta energy: 0.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -60.257108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.257108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.257108 (E_RNA)
where:
Base-Base interactions energy: -20.571
where: short stacking energy: -16.264
Base-Backbone interact. energy: -0.110
local terms energy: -39.576263
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -13.865
flat angles C4'-P-C4' energy: -10.778
flat angles P-C4'-P energy: -7.861
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: 2
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -130.709467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.709467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.709467 (E_RNA)
where:
Base-Base interactions energy: -72.027
where: short stacking energy: -41.201
Base-Backbone interact. energy: -0.774
local terms energy: -57.908801
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -10.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -122.796959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.796959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.796959 (E_RNA)
where:
Base-Base interactions energy: -74.022
where: short stacking energy: -44.652
Base-Backbone interact. energy: 0.148
local terms energy: -48.923131
where:
bonds (distance) C4'-P energy: -11.285
bonds (distance) P-C4' energy: -10.727
flat angles C4'-P-C4' energy: -10.077
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: -9.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -137.471095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.471095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.471095 (E_RNA)
where:
Base-Base interactions energy: -80.753
where: short stacking energy: -51.009
Base-Backbone interact. energy: -0.009
local terms energy: -56.708739
where:
bonds (distance) C4'-P energy: -9.410
bonds (distance) P-C4' energy: -10.817
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -9.534
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: 4, replica: 1
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -118.761220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.761220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.761220 (E_RNA)
where:
Base-Base interactions energy: -64.504
where: short stacking energy: -41.528
Base-Backbone interact. energy: -0.024
local terms energy: -54.232920
where:
bonds (distance) C4'-P energy: -9.860
bonds (distance) P-C4' energy: -10.528
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -10.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -70.170207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.170207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.170207 (E_RNA)
where:
Base-Base interactions energy: -27.240
where: short stacking energy: -27.240
Base-Backbone interact. energy: 1.678
local terms energy: -44.607852
where:
bonds (distance) C4'-P energy: -10.520
bonds (distance) P-C4' energy: -9.150
flat angles C4'-P-C4' energy: -8.423
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -6.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -71.455779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.455779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.455779 (E_RNA)
where:
Base-Base interactions energy: -30.338
where: short stacking energy: -29.005
Base-Backbone interact. energy: -0.326
local terms energy: -40.791383
where:
bonds (distance) C4'-P energy: -9.941
bonds (distance) P-C4' energy: -8.851
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -6.262
tors. eta vs tors. theta energy: -1.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -78.584307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.584307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.584307 (E_RNA)
where:
Base-Base interactions energy: -34.719
where: short stacking energy: -34.719
Base-Backbone interact. energy: -0.048
local terms energy: -43.816648
where:
bonds (distance) C4'-P energy: -8.628
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -10.035
flat angles P-C4'-P energy: -5.247
tors. eta vs tors. theta energy: -8.031
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: 397
Temperature: 1.250000
Total energy: -66.510746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.510746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.510746 (E_RNA)
where:
Base-Base interactions energy: -26.124
where: short stacking energy: -26.124
Base-Backbone interact. energy: -0.044
local terms energy: -40.342767
where:
bonds (distance) C4'-P energy: -10.855
bonds (distance) P-C4' energy: -9.765
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -2.722
tors. eta vs tors. theta energy: -6.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -76.030824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.030824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.030824 (E_RNA)
where:
Base-Base interactions energy: -31.015
where: short stacking energy: -30.176
Base-Backbone interact. energy: -0.099
local terms energy: -44.916436
where:
bonds (distance) C4'-P energy: -9.247
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -8.442
flat angles P-C4'-P energy: -7.013
tors. eta vs tors. theta energy: -7.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -67.685838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.685838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.685838 (E_RNA)
where:
Base-Base interactions energy: -21.999
where: short stacking energy: -21.999
Base-Backbone interact. energy: 0.419
local terms energy: -46.105744
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -7.772
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -7.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -132.426776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.426776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.426776 (E_RNA)
where:
Base-Base interactions energy: -80.271
where: short stacking energy: -40.837
Base-Backbone interact. energy: -0.116
local terms energy: -52.040220
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -10.589
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -8.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -139.686974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.686974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.686974 (E_RNA)
where:
Base-Base interactions energy: -85.548
where: short stacking energy: -49.535
Base-Backbone interact. energy: -0.100
local terms energy: -54.038890
where:
bonds (distance) C4'-P energy: -11.207
bonds (distance) P-C4' energy: -11.391
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -5.886
tors. eta vs tors. theta energy: -13.060
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: 1
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -128.749639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.749639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.749639 (E_RNA)
where:
Base-Base interactions energy: -69.174
where: short stacking energy: -42.341
Base-Backbone interact. energy: -0.002
local terms energy: -59.573961
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: -11.238
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -13.609
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: 4, replica: 3
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -131.520629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.520629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.520629 (E_RNA)
where:
Base-Base interactions energy: -75.888
where: short stacking energy: -45.870
Base-Backbone interact. energy: -0.084
local terms energy: -55.548363
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -11.127
flat angles C4'-P-C4' energy: -11.104
flat angles P-C4'-P energy: -6.350
tors. eta vs tors. theta energy: -15.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -81.571077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.571077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.571077 (E_RNA)
where:
Base-Base interactions energy: -42.838
where: short stacking energy: -42.838
Base-Backbone interact. energy: 1.949
local terms energy: -40.681242
where:
bonds (distance) C4'-P energy: -10.400
bonds (distance) P-C4' energy: -11.094
flat angles C4'-P-C4' energy: -10.776
flat angles P-C4'-P energy: -3.655
tors. eta vs tors. theta energy: -4.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -80.674310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.674310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.674310 (E_RNA)
where:
Base-Base interactions energy: -33.457
where: short stacking energy: -33.457
Base-Backbone interact. energy: -0.053
local terms energy: -47.163625
where:
bonds (distance) C4'-P energy: -10.565
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -3.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -72.877435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.877435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.877435 (E_RNA)
where:
Base-Base interactions energy: -30.262
where: short stacking energy: -30.262
Base-Backbone interact. energy: -0.292
local terms energy: -42.323166
where:
bonds (distance) C4'-P energy: -7.882
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -5.549
tors. eta vs tors. theta energy: -4.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -69.569982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.569982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.569982 (E_RNA)
where:
Base-Base interactions energy: -23.581
where: short stacking energy: -23.581
Base-Backbone interact. energy: -0.150
local terms energy: -45.838709
where:
bonds (distance) C4'-P energy: -12.353
bonds (distance) P-C4' energy: -12.028
flat angles C4'-P-C4' energy: -10.120
flat angles P-C4'-P energy: -4.052
tors. eta vs tors. theta energy: -7.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -66.165637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.165637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.165637 (E_RNA)
where:
Base-Base interactions energy: -18.526
where: short stacking energy: -18.526
Base-Backbone interact. energy: -0.142
local terms energy: -47.497850
where:
bonds (distance) C4'-P energy: -11.555
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -5.131
tors. eta vs tors. theta energy: -5.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -62.239400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.239400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.239400 (E_RNA)
where:
Base-Base interactions energy: -17.976
where: short stacking energy: -17.976
Base-Backbone interact. energy: -0.024
local terms energy: -44.239831
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -9.202
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -1.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -134.139446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.139446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.139446 (E_RNA)
where:
Base-Base interactions energy: -80.253
where: short stacking energy: -45.742
Base-Backbone interact. energy: -0.076
local terms energy: -53.810390
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -9.928
flat angles P-C4'-P energy: -5.399
tors. eta vs tors. theta energy: -13.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -119.542252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.542252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.542252 (E_RNA)
where:
Base-Base interactions energy: -70.636
where: short stacking energy: -39.814
Base-Backbone interact. energy: -0.025
local terms energy: -48.881093
where:
bonds (distance) C4'-P energy: -11.012
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -9.349
flat angles P-C4'-P energy: -6.755
tors. eta vs tors. theta energy: -8.637
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: 7
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -146.607673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.607673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.607673 (E_RNA)
where:
Base-Base interactions energy: -84.862
where: short stacking energy: -49.291
Base-Backbone interact. energy: -0.003
local terms energy: -61.742724
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -15.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -86.352614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.352614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.352614 (E_RNA)
where:
Base-Base interactions energy: -34.250
where: short stacking energy: -34.250
Base-Backbone interact. energy: -0.032
local terms energy: -52.070747
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -6.988
tors. eta vs tors. theta energy: -8.077
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: 5, replica: 3
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -115.047210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.047210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.047210 (E_RNA)
where:
Base-Base interactions energy: -66.572
where: short stacking energy: -40.958
Base-Backbone interact. energy: -0.110
local terms energy: -48.365416
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -11.906
flat angles P-C4'-P energy: -2.540
tors. eta vs tors. theta energy: -8.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -82.876675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.876675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.876675 (E_RNA)
where:
Base-Base interactions energy: -35.292
where: short stacking energy: -35.292
Base-Backbone interact. energy: -0.005
local terms energy: -47.580267
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -10.893
flat angles C4'-P-C4' energy: -7.524
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -8.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -82.237038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.237038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.237038 (E_RNA)
where:
Base-Base interactions energy: -40.293
where: short stacking energy: -31.890
Base-Backbone interact. energy: -0.023
local terms energy: -41.921144
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -10.580
flat angles C4'-P-C4' energy: -9.565
flat angles P-C4'-P energy: -0.887
tors. eta vs tors. theta energy: -8.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -67.310179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.310179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.310179 (E_RNA)
where:
Base-Base interactions energy: -28.314
where: short stacking energy: -26.269
Base-Backbone interact. energy: 4.438
local terms energy: -43.434833
where:
bonds (distance) C4'-P energy: -8.102
bonds (distance) P-C4' energy: -13.119
flat angles C4'-P-C4' energy: -9.511
flat angles P-C4'-P energy: -8.781
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: 9, replica: 9
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -63.415886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.415886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.415886 (E_RNA)
where:
Base-Base interactions energy: -21.925
where: short stacking energy: -21.018
Base-Backbone interact. energy: -0.043
local terms energy: -41.447776
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -10.295
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -5.359
tors. eta vs tors. theta energy: -1.779
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: 399
Temperature: 1.350000
Total energy: -71.834870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.834870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.834870 (E_RNA)
where:
Base-Base interactions energy: -27.299
where: short stacking energy: -24.151
Base-Backbone interact. energy: -0.205
local terms energy: -44.331143
where:
bonds (distance) C4'-P energy: -10.652
bonds (distance) P-C4' energy: -10.447
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -3.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -128.084398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.084398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.084398 (E_RNA)
where:
Base-Base interactions energy: -76.363
where: short stacking energy: -40.582
Base-Backbone interact. energy: -0.039
local terms energy: -51.681935
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -9.062
flat angles C4'-P-C4' energy: -9.419
flat angles P-C4'-P energy: -8.894
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: 2, replica: 1
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -126.834590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.834590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.834590 (E_RNA)
where:
Base-Base interactions energy: -67.925
where: short stacking energy: -37.570
Base-Backbone interact. energy: -0.170
local terms energy: -58.739394
where:
bonds (distance) C4'-P energy: -11.389
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -10.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -122.692577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.692577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.692577 (E_RNA)
where:
Base-Base interactions energy: -72.589
where: short stacking energy: -42.358
Base-Backbone interact. energy: -0.198
local terms energy: -49.905627
where:
bonds (distance) C4'-P energy: -8.391
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -9.912
flat angles P-C4'-P energy: -5.380
tors. eta vs tors. theta energy: -12.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -97.310072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.310072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.310072 (E_RNA)
where:
Base-Base interactions energy: -46.264
where: short stacking energy: -31.502
Base-Backbone interact. energy: 0.250
local terms energy: -51.296504
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -11.183
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -7.743
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: 5, replica: 3
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -96.640421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.640421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.640421 (E_RNA)
where:
Base-Base interactions energy: -49.254
where: short stacking energy: -27.797
Base-Backbone interact. energy: -0.121
local terms energy: -47.266068
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -5.603
tors. eta vs tors. theta energy: -4.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -73.532832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.532832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.532832 (E_RNA)
where:
Base-Base interactions energy: -24.146
where: short stacking energy: -24.146
Base-Backbone interact. energy: -0.128
local terms energy: -49.259277
where:
bonds (distance) C4'-P energy: -10.719
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -10.636
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -6.555
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: 4
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -68.473183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.473183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.473183 (E_RNA)
where:
Base-Base interactions energy: -29.910
where: short stacking energy: -24.782
Base-Backbone interact. energy: -0.361
local terms energy: -38.201846
where:
bonds (distance) C4'-P energy: -9.886
bonds (distance) P-C4' energy: -9.799
flat angles C4'-P-C4' energy: -9.015
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -1.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -65.024735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.024735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.024735 (E_RNA)
where:
Base-Base interactions energy: -24.761
where: short stacking energy: -20.531
Base-Backbone interact. energy: -0.224
local terms energy: -40.039424
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -7.819
flat angles P-C4'-P energy: -5.080
tors. eta vs tors. theta energy: -3.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -64.897826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.897826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.897826 (E_RNA)
where:
Base-Base interactions energy: -27.555
where: short stacking energy: -27.555
Base-Backbone interact. energy: -0.328
local terms energy: -37.015317
where:
bonds (distance) C4'-P energy: -10.893
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -5.846
flat angles P-C4'-P energy: -5.775
tors. eta vs tors. theta energy: -1.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -56.090859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.090859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.090859 (E_RNA)
where:
Base-Base interactions energy: -21.900
where: short stacking energy: -21.900
Base-Backbone interact. energy: -0.591
local terms energy: -33.600097
where:
bonds (distance) C4'-P energy: -6.463
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -6.669
flat angles P-C4'-P energy: -5.558
tors. eta vs tors. theta energy: -1.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -128.148705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.148705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.148705 (E_RNA)
where:
Base-Base interactions energy: -74.476
where: short stacking energy: -40.782
Base-Backbone interact. energy: -0.079
local terms energy: -53.594398
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -4.983
tors. eta vs tors. theta energy: -11.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -129.783654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.783654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.783654 (E_RNA)
where:
Base-Base interactions energy: -73.591
where: short stacking energy: -43.258
Base-Backbone interact. energy: -0.202
local terms energy: -55.990337
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -6.985
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: 3, replica: 7
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -125.723651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.723651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.723651 (E_RNA)
where:
Base-Base interactions energy: -71.836
where: short stacking energy: -44.806
Base-Backbone interact. energy: 0.006
local terms energy: -53.893720
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -4.644
tors. eta vs tors. theta energy: -12.075
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: 3
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -88.870801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.870801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.870801 (E_RNA)
where:
Base-Base interactions energy: -38.949
where: short stacking energy: -38.949
Base-Backbone interact. energy: -0.085
local terms energy: -49.836768
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -9.870
flat angles C4'-P-C4' energy: -9.462
flat angles P-C4'-P energy: -5.513
tors. eta vs tors. theta energy: -11.872
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: 8
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -74.555969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.555969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.555969 (E_RNA)
where:
Base-Base interactions energy: -28.419
where: short stacking energy: -28.360
Base-Backbone interact. energy: -0.113
local terms energy: -46.023345
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -0.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -82.549403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.549403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.549403 (E_RNA)
where:
Base-Base interactions energy: -37.316
where: short stacking energy: -33.190
Base-Backbone interact. energy: -0.003
local terms energy: -45.230311
where:
bonds (distance) C4'-P energy: -9.287
bonds (distance) P-C4' energy: -8.282
flat angles C4'-P-C4' energy: -11.208
flat angles P-C4'-P energy: -6.958
tors. eta vs tors. theta energy: -9.495
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: 5
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -69.720613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.720613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.720613 (E_RNA)
where:
Base-Base interactions energy: -24.538
where: short stacking energy: -24.538
Base-Backbone interact. energy: -0.055
local terms energy: -45.127132
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -11.356
flat angles C4'-P-C4' energy: -8.039
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -2.614
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: 8, replica: 10
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -68.213627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.213627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.213627 (E_RNA)
where:
Base-Base interactions energy: -26.473
where: short stacking energy: -25.043
Base-Backbone interact. energy: -0.172
local terms energy: -41.568230
where:
bonds (distance) C4'-P energy: -8.677
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -9.445
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -3.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -63.857790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.857790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.857790 (E_RNA)
where:
Base-Base interactions energy: -27.909
where: short stacking energy: -27.909
Base-Backbone interact. energy: -0.176
local terms energy: -35.773292
where:
bonds (distance) C4'-P energy: -8.752
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -2.183
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: 10, replica: 9
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -57.739990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.739990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.739990 (E_RNA)
where:
Base-Base interactions energy: -18.252
where: short stacking energy: -18.252
Base-Backbone interact. energy: -0.222
local terms energy: -39.266492
where:
bonds (distance) C4'-P energy: -10.528
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -9.993
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: 0.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -134.744713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.744713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.744713 (E_RNA)
where:
Base-Base interactions energy: -78.673
where: short stacking energy: -44.735
Base-Backbone interact. energy: 0.064
local terms energy: -56.135785
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -11.589
flat angles P-C4'-P energy: -6.609
tors. eta vs tors. theta energy: -10.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -138.370959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.370959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.370959 (E_RNA)
where:
Base-Base interactions energy: -84.788
where: short stacking energy: -46.971
Base-Backbone interact. energy: -0.010
local terms energy: -53.573146
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -9.149
flat angles P-C4'-P energy: -6.013
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: 7
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -127.165543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.165543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.165543 (E_RNA)
where:
Base-Base interactions energy: -66.196
where: short stacking energy: -41.097
Base-Backbone interact. energy: -0.004
local terms energy: -60.965448
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -11.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -100.897836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.897836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.897836 (E_RNA)
where:
Base-Base interactions energy: -47.507
where: short stacking energy: -47.507
Base-Backbone interact. energy: -0.008
local terms energy: -53.382867
where:
bonds (distance) C4'-P energy: -10.039
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -10.284
flat angles P-C4'-P energy: -4.802
tors. eta vs tors. theta energy: -15.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -91.186638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.186638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.186638 (E_RNA)
where:
Base-Base interactions energy: -40.486
where: short stacking energy: -37.260
Base-Backbone interact. energy: -0.040
local terms energy: -50.660063
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -9.275
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -7.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -85.387585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.387585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.387585 (E_RNA)
where:
Base-Base interactions energy: -35.881
where: short stacking energy: -35.881
Base-Backbone interact. energy: -0.082
local terms energy: -49.425168
where:
bonds (distance) C4'-P energy: -10.806
bonds (distance) P-C4' energy: -11.224
flat angles C4'-P-C4' energy: -10.896
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -9.345
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: 7, replica: 10
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -72.407365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.407365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.407365 (E_RNA)
where:
Base-Base interactions energy: -27.709
where: short stacking energy: -27.709
Base-Backbone interact. energy: -0.056
local terms energy: -44.642375
where:
bonds (distance) C4'-P energy: -8.358
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -4.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -62.161924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.161924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.161924 (E_RNA)
where:
Base-Base interactions energy: -25.327
where: short stacking energy: -21.967
Base-Backbone interact. energy: -0.084
local terms energy: -36.751169
where:
bonds (distance) C4'-P energy: -5.850
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -0.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -64.846919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.846919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.846919 (E_RNA)
where:
Base-Base interactions energy: -32.933
where: short stacking energy: -11.471
Base-Backbone interact. energy: 0.753
local terms energy: -32.667585
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -8.105
flat angles C4'-P-C4' energy: -9.018
flat angles P-C4'-P energy: -3.210
tors. eta vs tors. theta energy: 0.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -64.617777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.617777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.617777 (E_RNA)
where:
Base-Base interactions energy: -22.617
where: short stacking energy: -22.617
Base-Backbone interact. energy: -0.239
local terms energy: -41.761986
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -11.712
flat angles C4'-P-C4' energy: -7.774
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -2.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -130.082308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.082308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.082308 (E_RNA)
where:
Base-Base interactions energy: -73.543
where: short stacking energy: -45.532
Base-Backbone interact. energy: -0.033
local terms energy: -56.505899
where:
bonds (distance) C4'-P energy: -9.803
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -11.886
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: 7
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -139.757789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.757789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.757789 (E_RNA)
where:
Base-Base interactions energy: -82.923
where: short stacking energy: -50.693
Base-Backbone interact. energy: -0.026
local terms energy: -56.808657
where:
bonds (distance) C4'-P energy: -9.638
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -12.938
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: 3, replica: 2
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -131.847915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.847915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.847915 (E_RNA)
where:
Base-Base interactions energy: -74.361
where: short stacking energy: -42.420
Base-Backbone interact. energy: -0.001
local terms energy: -57.485970
where:
bonds (distance) C4'-P energy: -8.110
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -14.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -83.522765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.522765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.522765 (E_RNA)
where:
Base-Base interactions energy: -32.269
where: short stacking energy: -32.269
Base-Backbone interact. energy: -0.004
local terms energy: -51.249909
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -10.298
flat angles C4'-P-C4' energy: -10.930
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -9.977
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: 403
Temperature: 1.100000
Total energy: -83.140406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.140406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.140406 (E_RNA)
where:
Base-Base interactions energy: -40.000
where: short stacking energy: -40.000
Base-Backbone interact. energy: -0.034
local terms energy: -43.105807
where:
bonds (distance) C4'-P energy: -11.430
bonds (distance) P-C4' energy: -10.138
flat angles C4'-P-C4' energy: -9.763
flat angles P-C4'-P energy: -4.639
tors. eta vs tors. theta energy: -7.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -73.484725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.484725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.484725 (E_RNA)
where:
Base-Base interactions energy: -25.483
where: short stacking energy: -25.483
Base-Backbone interact. energy: -0.009
local terms energy: -47.992812
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -9.280
flat angles P-C4'-P energy: -3.992
tors. eta vs tors. theta energy: -7.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -84.290622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.290622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.290622 (E_RNA)
where:
Base-Base interactions energy: -34.035
where: short stacking energy: -33.573
Base-Backbone interact. energy: -0.101
local terms energy: -50.154875
where:
bonds (distance) C4'-P energy: -11.120
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -6.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -83.912913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.912913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.912913 (E_RNA)
where:
Base-Base interactions energy: -45.060
where: short stacking energy: -20.041
Base-Backbone interact. energy: -0.306
local terms energy: -38.546128
where:
bonds (distance) C4'-P energy: -10.727
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -7.122
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: 0.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -53.973482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.973482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.973482 (E_RNA)
where:
Base-Base interactions energy: -17.651
where: short stacking energy: -17.651
Base-Backbone interact. energy: -0.181
local terms energy: -36.141009
where:
bonds (distance) C4'-P energy: -7.923
bonds (distance) P-C4' energy: -9.017
flat angles C4'-P-C4' energy: -6.008
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -3.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -60.843835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.843835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.843835 (E_RNA)
where:
Base-Base interactions energy: -24.075
where: short stacking energy: -24.075
Base-Backbone interact. energy: -0.074
local terms energy: -36.694961
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -10.578
flat angles C4'-P-C4' energy: -9.276
flat angles P-C4'-P energy: -3.450
tors. eta vs tors. theta energy: -1.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -132.797065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.797065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.797065 (E_RNA)
where:
Base-Base interactions energy: -76.412
where: short stacking energy: -43.608
Base-Backbone interact. energy: -0.875
local terms energy: -55.509619
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -5.920
tors. eta vs tors. theta energy: -10.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -130.246751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.246751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.246751 (E_RNA)
where:
Base-Base interactions energy: -74.288
where: short stacking energy: -44.534
Base-Backbone interact. energy: -0.075
local terms energy: -55.883785
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -7.021
tors. eta vs tors. theta energy: -12.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -120.953437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.953437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.953437 (E_RNA)
where:
Base-Base interactions energy: -71.792
where: short stacking energy: -41.746
Base-Backbone interact. energy: -0.101
local terms energy: -49.060757
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -11.967
flat angles C4'-P-C4' energy: -11.024
flat angles P-C4'-P energy: -6.044
tors. eta vs tors. theta energy: -8.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -93.742373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.742373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.742373 (E_RNA)
where:
Base-Base interactions energy: -43.653
where: short stacking energy: -40.283
Base-Backbone interact. energy: -0.063
local terms energy: -50.026047
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -11.408
flat angles C4'-P-C4' energy: -10.580
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -8.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -74.127215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.127215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.127215 (E_RNA)
where:
Base-Base interactions energy: -30.755
where: short stacking energy: -26.833
Base-Backbone interact. energy: -0.996
local terms energy: -42.376331
where:
bonds (distance) C4'-P energy: -10.039
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -7.868
flat angles P-C4'-P energy: -5.507
tors. eta vs tors. theta energy: -5.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -67.629489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.629489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.629489 (E_RNA)
where:
Base-Base interactions energy: -25.294
where: short stacking energy: -20.725
Base-Backbone interact. energy: -0.038
local terms energy: -42.297331
where:
bonds (distance) C4'-P energy: -8.388
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -11.186
flat angles P-C4'-P energy: -7.547
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: 7, replica: 9
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -71.729685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.729685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.729685 (E_RNA)
where:
Base-Base interactions energy: -25.780
where: short stacking energy: -25.780
Base-Backbone interact. energy: -0.079
local terms energy: -45.871186
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -11.135
flat angles P-C4'-P energy: -6.071
tors. eta vs tors. theta energy: -5.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -64.116592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.116592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.116592 (E_RNA)
where:
Base-Base interactions energy: -19.768
where: short stacking energy: -19.768
Base-Backbone interact. energy: -0.147
local terms energy: -44.201517
where:
bonds (distance) C4'-P energy: -9.729
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -9.199
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -3.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -71.794837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.794837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.794837 (E_RNA)
where:
Base-Base interactions energy: -31.809
where: short stacking energy: -20.038
Base-Backbone interact. energy: -0.075
local terms energy: -39.911419
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -8.799
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -7.020
tors. eta vs tors. theta energy: 2.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -56.514192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.514192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.514192 (E_RNA)
where:
Base-Base interactions energy: -21.474
where: short stacking energy: -20.942
Base-Backbone interact. energy: -0.080
local terms energy: -34.959448
where:
bonds (distance) C4'-P energy: -6.462
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -5.086
tors. eta vs tors. theta energy: 1.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -133.520739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.520739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.520739 (E_RNA)
where:
Base-Base interactions energy: -82.148
where: short stacking energy: -50.305
Base-Backbone interact. energy: -0.401
local terms energy: -50.971213
where:
bonds (distance) C4'-P energy: -8.636
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -4.706
tors. eta vs tors. theta energy: -13.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -124.660598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.660598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.660598 (E_RNA)
where:
Base-Base interactions energy: -70.665
where: short stacking energy: -38.452
Base-Backbone interact. energy: -0.067
local terms energy: -53.927900
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -5.895
tors. eta vs tors. theta energy: -10.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -133.030264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.030264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.030264 (E_RNA)
where:
Base-Base interactions energy: -75.990
where: short stacking energy: -46.929
Base-Backbone interact. energy: -0.034
local terms energy: -57.006485
where:
bonds (distance) C4'-P energy: -8.553
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -13.115
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: 10
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -84.045729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.045729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.045729 (E_RNA)
where:
Base-Base interactions energy: -32.200
where: short stacking energy: -30.706
Base-Backbone interact. energy: -0.028
local terms energy: -51.817652
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -5.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -81.381884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.381884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.381884 (E_RNA)
where:
Base-Base interactions energy: -33.078
where: short stacking energy: -33.078
Base-Backbone interact. energy: 0.264
local terms energy: -48.567933
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -9.315
flat angles P-C4'-P energy: -6.648
tors. eta vs tors. theta energy: -8.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -84.120926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.120926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.120926 (E_RNA)
where:
Base-Base interactions energy: -34.991
where: short stacking energy: -34.991
Base-Backbone interact. energy: -0.001
local terms energy: -49.128782
where:
bonds (distance) C4'-P energy: -11.704
bonds (distance) P-C4' energy: -7.168
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -9.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -71.977003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.977003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.977003 (E_RNA)
where:
Base-Base interactions energy: -32.525
where: short stacking energy: -32.525
Base-Backbone interact. energy: -0.050
local terms energy: -39.402169
where:
bonds (distance) C4'-P energy: -6.313
bonds (distance) P-C4' energy: -10.945
flat angles C4'-P-C4' energy: -5.423
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -7.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -76.141791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.141791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.141791 (E_RNA)
where:
Base-Base interactions energy: -30.214
where: short stacking energy: -30.214
Base-Backbone interact. energy: -0.071
local terms energy: -45.856808
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: -2.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -58.321944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.321944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.321944 (E_RNA)
where:
Base-Base interactions energy: -20.225
where: short stacking energy: -20.225
Base-Backbone interact. energy: -0.036
local terms energy: -38.061207
where:
bonds (distance) C4'-P energy: -11.927
bonds (distance) P-C4' energy: -8.241
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -6.669
tors. eta vs tors. theta energy: 0.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -73.491080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.491080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.491080 (E_RNA)
where:
Base-Base interactions energy: -31.663
where: short stacking energy: -31.663
Base-Backbone interact. energy: -0.421
local terms energy: -41.406982
where:
bonds (distance) C4'-P energy: -7.618
bonds (distance) P-C4' energy: -11.317
flat angles C4'-P-C4' energy: -11.384
flat angles P-C4'-P energy: -4.468
tors. eta vs tors. theta energy: -6.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -126.522793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.522793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.522793 (E_RNA)
where:
Base-Base interactions energy: -75.086
where: short stacking energy: -36.340
Base-Backbone interact. energy: -0.014
local terms energy: -51.422461
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -8.036
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -11.799
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: 7
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -128.795984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.795984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.795984 (E_RNA)
where:
Base-Base interactions energy: -65.190
where: short stacking energy: -45.823
Base-Backbone interact. energy: -0.004
local terms energy: -63.601352
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -8.080
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: 3, replica: 1
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -113.363658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.363658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.363658 (E_RNA)
where:
Base-Base interactions energy: -66.222
where: short stacking energy: -25.686
Base-Backbone interact. energy: -0.036
local terms energy: -47.105869
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -10.175
flat angles C4'-P-C4' energy: -9.792
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -5.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -84.981315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.981315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.981315 (E_RNA)
where:
Base-Base interactions energy: -37.335
where: short stacking energy: -37.335
Base-Backbone interact. energy: -0.010
local terms energy: -47.636237
where:
bonds (distance) C4'-P energy: -7.116
bonds (distance) P-C4' energy: -11.446
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -8.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -81.391482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.391482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.391482 (E_RNA)
where:
Base-Base interactions energy: -30.703
where: short stacking energy: -27.488
Base-Backbone interact. energy: -0.116
local terms energy: -50.572063
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -10.514
flat angles P-C4'-P energy: -7.984
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: 6, replica: 4
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -78.296063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.296063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.296063 (E_RNA)
where:
Base-Base interactions energy: -29.618
where: short stacking energy: -29.618
Base-Backbone interact. energy: -0.082
local terms energy: -48.596004
where:
bonds (distance) C4'-P energy: -8.363
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -10.743
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -7.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -75.654973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.654973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.654973 (E_RNA)
where:
Base-Base interactions energy: -29.202
where: short stacking energy: -29.177
Base-Backbone interact. energy: -0.022
local terms energy: -46.430398
where:
bonds (distance) C4'-P energy: -8.072
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -9.308
flat angles P-C4'-P energy: -7.149
tors. eta vs tors. theta energy: -7.914
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: 8, replica: 6
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -69.001205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.001205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.001205 (E_RNA)
where:
Base-Base interactions energy: -26.690
where: short stacking energy: -16.231
Base-Backbone interact. energy: -0.123
local terms energy: -42.188105
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -10.957
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -3.918
tors. eta vs tors. theta energy: -1.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -74.369587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.369587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.369587 (E_RNA)
where:
Base-Base interactions energy: -34.222
where: short stacking energy: -34.222
Base-Backbone interact. energy: -0.109
local terms energy: -40.038355
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -7.769
flat angles C4'-P-C4' energy: -10.415
flat angles P-C4'-P energy: -0.826
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: 10, replica: 8
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -59.308410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.308410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.308410 (E_RNA)
where:
Base-Base interactions energy: -24.533
where: short stacking energy: -24.533
Base-Backbone interact. energy: -0.025
local terms energy: -34.750536
where:
bonds (distance) C4'-P energy: -10.379
bonds (distance) P-C4' energy: -7.372
flat angles C4'-P-C4' energy: -8.520
flat angles P-C4'-P energy: -5.997
tors. eta vs tors. theta energy: -2.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -134.129902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.129902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.129902 (E_RNA)
where:
Base-Base interactions energy: -80.659
where: short stacking energy: -50.025
Base-Backbone interact. energy: 0.113
local terms energy: -53.583570
where:
bonds (distance) C4'-P energy: -11.728
bonds (distance) P-C4' energy: -8.248
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -12.537
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: 7
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -147.315859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.315859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.315859 (E_RNA)
where:
Base-Base interactions energy: -87.103
where: short stacking energy: -55.637
Base-Backbone interact. energy: -0.015
local terms energy: -60.197731
where:
bonds (distance) C4'-P energy: -10.160
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -9.607
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: 3, replica: 1
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -122.939346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.939346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.939346 (E_RNA)
where:
Base-Base interactions energy: -78.798
where: short stacking energy: -48.226
Base-Backbone interact. energy: -0.003
local terms energy: -44.138688
where:
bonds (distance) C4'-P energy: -9.406
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -4.802
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -10.716
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: 407
Temperature: 1.050000
Total energy: -89.925984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.925984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.925984 (E_RNA)
where:
Base-Base interactions energy: -38.845
where: short stacking energy: -38.845
Base-Backbone interact. energy: -0.005
local terms energy: -51.075879
where:
bonds (distance) C4'-P energy: -11.613
bonds (distance) P-C4' energy: -9.799
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -8.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -86.608972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.608972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.608972 (E_RNA)
where:
Base-Base interactions energy: -31.900
where: short stacking energy: -31.900
Base-Backbone interact. energy: -0.195
local terms energy: -54.514221
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -7.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -80.212299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.212299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.212299 (E_RNA)
where:
Base-Base interactions energy: -35.461
where: short stacking energy: -35.461
Base-Backbone interact. energy: -0.082
local terms energy: -44.669376
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -7.181
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -4.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -73.185154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.185154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.185154 (E_RNA)
where:
Base-Base interactions energy: -30.313
where: short stacking energy: -30.313
Base-Backbone interact. energy: 0.313
local terms energy: -43.184317
where:
bonds (distance) C4'-P energy: -8.206
bonds (distance) P-C4' energy: -8.906
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -2.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -63.842553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.842553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.842553 (E_RNA)
where:
Base-Base interactions energy: -26.205
where: short stacking energy: -17.755
Base-Backbone interact. energy: -0.077
local terms energy: -37.560489
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -11.331
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: 4.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -74.296254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.296254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.296254 (E_RNA)
where:
Base-Base interactions energy: -36.079
where: short stacking energy: -30.694
Base-Backbone interact. energy: -0.075
local terms energy: -38.142239
where:
bonds (distance) C4'-P energy: -8.147
bonds (distance) P-C4' energy: -8.803
flat angles C4'-P-C4' energy: -6.473
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -7.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -57.613551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.613551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.613551 (E_RNA)
where:
Base-Base interactions energy: -23.806
where: short stacking energy: -16.539
Base-Backbone interact. energy: 1.100
local terms energy: -34.907468
where:
bonds (distance) C4'-P energy: -8.664
bonds (distance) P-C4' energy: -9.449
flat angles C4'-P-C4' energy: -10.688
flat angles P-C4'-P energy: -5.832
tors. eta vs tors. theta energy: -0.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -131.136383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.136383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.136383 (E_RNA)
where:
Base-Base interactions energy: -75.122
where: short stacking energy: -46.988
Base-Backbone interact. energy: -0.059
local terms energy: -55.955549
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -11.103
flat angles P-C4'-P energy: -6.450
tors. eta vs tors. theta energy: -13.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -134.771190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.771190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.771190 (E_RNA)
where:
Base-Base interactions energy: -74.973
where: short stacking energy: -49.374
Base-Backbone interact. energy: -0.113
local terms energy: -59.685830
where:
bonds (distance) C4'-P energy: -11.608
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -12.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -123.746799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.746799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.746799 (E_RNA)
where:
Base-Base interactions energy: -77.170
where: short stacking energy: -46.960
Base-Backbone interact. energy: -0.010
local terms energy: -46.566859
where:
bonds (distance) C4'-P energy: -11.053
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -6.795
flat angles P-C4'-P energy: -5.898
tors. eta vs tors. theta energy: -9.746
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: 10
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -88.598924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.598924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.598924 (E_RNA)
where:
Base-Base interactions energy: -41.709
where: short stacking energy: -41.709
Base-Backbone interact. energy: -0.089
local terms energy: -46.801500
where:
bonds (distance) C4'-P energy: -8.259
bonds (distance) P-C4' energy: -9.767
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -6.505
tors. eta vs tors. theta energy: -9.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -94.316319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.316319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.316319 (E_RNA)
where:
Base-Base interactions energy: -51.522
where: short stacking energy: -41.345
Base-Backbone interact. energy: -0.102
local terms energy: -42.692471
where:
bonds (distance) C4'-P energy: -8.450
bonds (distance) P-C4' energy: -11.504
flat angles C4'-P-C4' energy: -10.467
flat angles P-C4'-P energy: -3.881
tors. eta vs tors. theta energy: -8.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -82.560545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.560545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.560545 (E_RNA)
where:
Base-Base interactions energy: -39.953
where: short stacking energy: -32.305
Base-Backbone interact. energy: -0.258
local terms energy: -42.349343
where:
bonds (distance) C4'-P energy: -9.869
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -7.483
flat angles P-C4'-P energy: -4.809
tors. eta vs tors. theta energy: -6.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -75.724763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.724763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.724763 (E_RNA)
where:
Base-Base interactions energy: -34.852
where: short stacking energy: -22.097
Base-Backbone interact. energy: -0.229
local terms energy: -40.643840
where:
bonds (distance) C4'-P energy: -9.522
bonds (distance) P-C4' energy: -9.305
flat angles C4'-P-C4' energy: -10.896
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: -3.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -67.010178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.010178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.010178 (E_RNA)
where:
Base-Base interactions energy: -21.458
where: short stacking energy: -21.394
Base-Backbone interact. energy: -0.124
local terms energy: -45.428403
where:
bonds (distance) C4'-P energy: -10.776
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -10.716
flat angles P-C4'-P energy: -5.916
tors. eta vs tors. theta energy: -4.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -60.650393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.650393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.650393 (E_RNA)
where:
Base-Base interactions energy: -24.896
where: short stacking energy: -24.896
Base-Backbone interact. energy: -0.035
local terms energy: -35.719253
where:
bonds (distance) C4'-P energy: -9.188
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -8.404
flat angles P-C4'-P energy: -3.179
tors. eta vs tors. theta energy: -1.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -60.901651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.901651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.901651 (E_RNA)
where:
Base-Base interactions energy: -20.055
where: short stacking energy: -18.154
Base-Backbone interact. energy: 0.009
local terms energy: -40.856518
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -9.916
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: 1.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -137.602122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.602122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.602122 (E_RNA)
where:
Base-Base interactions energy: -86.166
where: short stacking energy: -51.548
Base-Backbone interact. energy: -0.338
local terms energy: -51.097869
where:
bonds (distance) C4'-P energy: -11.136
bonds (distance) P-C4' energy: -7.082
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -5.854
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: 2, replica: 2
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -134.027504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.027504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.027504 (E_RNA)
where:
Base-Base interactions energy: -83.871
where: short stacking energy: -49.694
Base-Backbone interact. energy: -0.004
local terms energy: -50.153376
where:
bonds (distance) C4'-P energy: -8.242
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -5.587
tors. eta vs tors. theta energy: -10.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -110.942269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.942269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.942269 (E_RNA)
where:
Base-Base interactions energy: -65.425
where: short stacking energy: -32.068
Base-Backbone interact. energy: 0.251
local terms energy: -45.768382
where:
bonds (distance) C4'-P energy: -9.293
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -5.477
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -7.793
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: 409
Temperature: 1.050000
Total energy: -82.138139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.138139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.138139 (E_RNA)
where:
Base-Base interactions energy: -37.322
where: short stacking energy: -25.636
Base-Backbone interact. energy: -0.853
local terms energy: -43.963073
where:
bonds (distance) C4'-P energy: -12.527
bonds (distance) P-C4' energy: -11.139
flat angles C4'-P-C4' energy: -7.496
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -3.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -93.990263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.990263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.990263 (E_RNA)
where:
Base-Base interactions energy: -45.569
where: short stacking energy: -38.157
Base-Backbone interact. energy: -0.041
local terms energy: -48.379988
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -10.366
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -7.571
tors. eta vs tors. theta energy: -6.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -76.800688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.800688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.800688 (E_RNA)
where:
Base-Base interactions energy: -28.171
where: short stacking energy: -28.171
Base-Backbone interact. energy: -0.114
local terms energy: -48.515261
where:
bonds (distance) C4'-P energy: -10.793
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -9.938
flat angles P-C4'-P energy: -10.102
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: 7, replica: 9
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -76.906841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.906841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.906841 (E_RNA)
where:
Base-Base interactions energy: -38.432
where: short stacking energy: -28.700
Base-Backbone interact. energy: -0.030
local terms energy: -38.444737
where:
bonds (distance) C4'-P energy: -9.589
bonds (distance) P-C4' energy: -3.032
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -4.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -69.411008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.411008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.411008 (E_RNA)
where:
Base-Base interactions energy: -20.993
where: short stacking energy: -20.993
Base-Backbone interact. energy: -0.046
local terms energy: -48.372471
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -10.700
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -4.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -60.764022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.764022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.764022 (E_RNA)
where:
Base-Base interactions energy: -19.046
where: short stacking energy: -19.046
Base-Backbone interact. energy: -0.018
local terms energy: -41.699876
where:
bonds (distance) C4'-P energy: -9.874
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -11.441
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: 1.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -60.002826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.002826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.002826 (E_RNA)
where:
Base-Base interactions energy: -18.909
where: short stacking energy: -18.909
Base-Backbone interact. energy: -0.237
local terms energy: -40.857252
where:
bonds (distance) C4'-P energy: -9.480
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -3.760
tors. eta vs tors. theta energy: -1.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -149.620831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.620831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.620831 (E_RNA)
where:
Base-Base interactions energy: -90.958
where: short stacking energy: -57.705
Base-Backbone interact. energy: -0.046
local terms energy: -58.616505
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -9.056
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: -15.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -139.910185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.910185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.910185 (E_RNA)
where:
Base-Base interactions energy: -83.204
where: short stacking energy: -51.759
Base-Backbone interact. energy: -0.141
local terms energy: -56.565026
where:
bonds (distance) C4'-P energy: -11.116
bonds (distance) P-C4' energy: -11.062
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -15.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -119.369574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.369574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.369574 (E_RNA)
where:
Base-Base interactions energy: -66.420
where: short stacking energy: -39.059
Base-Backbone interact. energy: -0.232
local terms energy: -52.717634
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -11.814
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: -11.780
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: 410
Temperature: 1.050000
Total energy: -96.039608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.039608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.039608 (E_RNA)
where:
Base-Base interactions energy: -39.577
where: short stacking energy: -39.577
Base-Backbone interact. energy: -0.041
local terms energy: -56.422280
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -6.441
tors. eta vs tors. theta energy: -11.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -90.551435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.551435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.551435 (E_RNA)
where:
Base-Base interactions energy: -41.167
where: short stacking energy: -41.167
Base-Backbone interact. energy: 0.935
local terms energy: -50.320198
where:
bonds (distance) C4'-P energy: -9.948
bonds (distance) P-C4' energy: -9.213
flat angles C4'-P-C4' energy: -10.741
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -12.590
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: 6, replica: 10
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -79.351994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.351994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.351994 (E_RNA)
where:
Base-Base interactions energy: -36.124
where: short stacking energy: -36.124
Base-Backbone interact. energy: -0.097
local terms energy: -43.130295
where:
bonds (distance) C4'-P energy: -7.526
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -10.512
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -5.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -81.398905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.398905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.398905 (E_RNA)
where:
Base-Base interactions energy: -34.500
where: short stacking energy: -25.787
Base-Backbone interact. energy: 0.828
local terms energy: -47.726404
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -8.021
flat angles P-C4'-P energy: -7.083
tors. eta vs tors. theta energy: -6.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -82.698189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.698189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.698189 (E_RNA)
where:
Base-Base interactions energy: -45.662
where: short stacking energy: -24.450
Base-Backbone interact. energy: -0.163
local terms energy: -36.873046
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -11.053
flat angles C4'-P-C4' energy: -6.378
flat angles P-C4'-P energy: -4.037
tors. eta vs tors. theta energy: -2.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -57.152887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.152887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.152887 (E_RNA)
where:
Base-Base interactions energy: -23.636
where: short stacking energy: -23.636
Base-Backbone interact. energy: 1.702
local terms energy: -35.218994
where:
bonds (distance) C4'-P energy: -6.459
bonds (distance) P-C4' energy: -9.740
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -6.475
tors. eta vs tors. theta energy: -1.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -60.344390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.344390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.344390 (E_RNA)
where:
Base-Base interactions energy: -22.117
where: short stacking energy: -22.117
Base-Backbone interact. energy: -0.147
local terms energy: -38.080057
where:
bonds (distance) C4'-P energy: -5.656
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -11.232
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: -1.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -144.446087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.446087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.446087 (E_RNA)
where:
Base-Base interactions energy: -85.783
where: short stacking energy: -54.971
Base-Backbone interact. energy: -0.336
local terms energy: -58.326678
where:
bonds (distance) C4'-P energy: -11.720
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -5.353
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: 2, replica: 7
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -139.809244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.809244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.809244 (E_RNA)
where:
Base-Base interactions energy: -80.179
where: short stacking energy: -46.592
Base-Backbone interact. energy: -0.088
local terms energy: -59.542381
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -7.667
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: 1
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -125.617450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.617450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.617450 (E_RNA)
where:
Base-Base interactions energy: -75.664
where: short stacking energy: -37.736
Base-Backbone interact. energy: -0.166
local terms energy: -49.787852
where:
bonds (distance) C4'-P energy: -12.254
bonds (distance) P-C4' energy: -9.317
flat angles C4'-P-C4' energy: -8.490
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -11.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -96.507323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.507323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.507323 (E_RNA)
where:
Base-Base interactions energy: -44.811
where: short stacking energy: -40.722
Base-Backbone interact. energy: -0.019
local terms energy: -51.676911
where:
bonds (distance) C4'-P energy: -11.195
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -7.875
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -10.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -90.107182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.107182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.107182 (E_RNA)
where:
Base-Base interactions energy: -34.571
where: short stacking energy: -31.780
Base-Backbone interact. energy: -0.184
local terms energy: -55.352438
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -8.224
flat angles P-C4'-P energy: -8.188
tors. eta vs tors. theta energy: -11.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -83.412988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.412988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.412988 (E_RNA)
where:
Base-Base interactions energy: -34.909
where: short stacking energy: -26.073
Base-Backbone interact. energy: -0.502
local terms energy: -48.002512
where:
bonds (distance) C4'-P energy: -10.540
bonds (distance) P-C4' energy: -10.921
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -5.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -72.353394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.353394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.353394 (E_RNA)
where:
Base-Base interactions energy: -25.187
where: short stacking energy: -25.187
Base-Backbone interact. energy: -0.077
local terms energy: -47.089366
where:
bonds (distance) C4'-P energy: -9.526
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -5.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -73.254412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.254412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.254412 (E_RNA)
where:
Base-Base interactions energy: -33.014
where: short stacking energy: -26.020
Base-Backbone interact. energy: -0.108
local terms energy: -40.132020
where:
bonds (distance) C4'-P energy: -6.007
bonds (distance) P-C4' energy: -10.849
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -5.665
tors. eta vs tors. theta energy: -5.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -58.873176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.873176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.873176 (E_RNA)
where:
Base-Base interactions energy: -18.043
where: short stacking energy: -18.043
Base-Backbone interact. energy: -0.194
local terms energy: -40.636115
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -6.897
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: 0.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -63.504814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.504814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.504814 (E_RNA)
where:
Base-Base interactions energy: -22.211
where: short stacking energy: -20.797
Base-Backbone interact. energy: 0.465
local terms energy: -41.758854
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -11.020
flat angles P-C4'-P energy: -5.066
tors. eta vs tors. theta energy: -1.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -133.645720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.645720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.645720 (E_RNA)
where:
Base-Base interactions energy: -77.331
where: short stacking energy: -45.782
Base-Backbone interact. energy: -0.016
local terms energy: -56.298842
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -11.454
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: 7
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -129.050971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.050971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.050971 (E_RNA)
where:
Base-Base interactions energy: -79.508
where: short stacking energy: -48.928
Base-Backbone interact. energy: -0.001
local terms energy: -49.542501
where:
bonds (distance) C4'-P energy: -10.287
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -3.844
tors. eta vs tors. theta energy: -10.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -125.164517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.164517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.164517 (E_RNA)
where:
Base-Base interactions energy: -70.527
where: short stacking energy: -42.619
Base-Backbone interact. energy: -0.047
local terms energy: -54.590612
where:
bonds (distance) C4'-P energy: -11.555
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -9.600
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: 4
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -83.570770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.570770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.570770 (E_RNA)
where:
Base-Base interactions energy: -31.822
where: short stacking energy: -31.822
Base-Backbone interact. energy: -0.217
local terms energy: -51.531714
where:
bonds (distance) C4'-P energy: -8.164
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -9.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -75.266777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.266777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.266777 (E_RNA)
where:
Base-Base interactions energy: -30.448
where: short stacking energy: -30.448
Base-Backbone interact. energy: -0.112
local terms energy: -44.707160
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -9.934
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -4.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -89.396435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.396435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.396435 (E_RNA)
where:
Base-Base interactions energy: -38.863
where: short stacking energy: -35.334
Base-Backbone interact. energy: -0.037
local terms energy: -50.496027
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -10.120
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -8.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -70.331859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.331859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.331859 (E_RNA)
where:
Base-Base interactions energy: -27.990
where: short stacking energy: -27.990
Base-Backbone interact. energy: -0.016
local terms energy: -42.326628
where:
bonds (distance) C4'-P energy: -8.334
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -11.662
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -1.333
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: 10
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -66.354891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.354891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.354891 (E_RNA)
where:
Base-Base interactions energy: -29.433
where: short stacking energy: -18.514
Base-Backbone interact. energy: -0.239
local terms energy: -36.683042
where:
bonds (distance) C4'-P energy: -4.667
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -9.325
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -4.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -58.795444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.795444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.795444 (E_RNA)
where:
Base-Base interactions energy: -28.661
where: short stacking energy: -14.812
Base-Backbone interact. energy: -0.196
local terms energy: -29.938677
where:
bonds (distance) C4'-P energy: -6.822
bonds (distance) P-C4' energy: -9.006
flat angles C4'-P-C4' energy: -8.263
flat angles P-C4'-P energy: -2.406
tors. eta vs tors. theta energy: -3.442
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: 9
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -63.985827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.985827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.985827 (E_RNA)
where:
Base-Base interactions energy: -22.695
where: short stacking energy: -22.695
Base-Backbone interact. energy: -0.022
local terms energy: -41.269026
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -11.280
flat angles C4'-P-C4' energy: -5.837
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -4.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -138.487025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.487025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.487025 (E_RNA)
where:
Base-Base interactions energy: -82.689
where: short stacking energy: -52.981
Base-Backbone interact. energy: -0.099
local terms energy: -55.699303
where:
bonds (distance) C4'-P energy: -11.012
bonds (distance) P-C4' energy: -7.780
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -16.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -130.738608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.738608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.738608 (E_RNA)
where:
Base-Base interactions energy: -77.899
where: short stacking energy: -48.670
Base-Backbone interact. energy: 0.523
local terms energy: -53.362622
where:
bonds (distance) C4'-P energy: -7.560
bonds (distance) P-C4' energy: -12.699
flat angles C4'-P-C4' energy: -11.800
flat angles P-C4'-P energy: -6.117
tors. eta vs tors. theta energy: -15.187
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: 7
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -124.623962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.623962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.623962 (E_RNA)
where:
Base-Base interactions energy: -70.289
where: short stacking energy: -46.325
Base-Backbone interact. energy: -0.112
local terms energy: -54.222273
where:
bonds (distance) C4'-P energy: -7.685
bonds (distance) P-C4' energy: -12.950
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -10.323
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: 4, replica: 6
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -82.657651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.657651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.657651 (E_RNA)
where:
Base-Base interactions energy: -35.571
where: short stacking energy: -35.571
Base-Backbone interact. energy: -0.132
local terms energy: -46.954394
where:
bonds (distance) C4'-P energy: -7.869
bonds (distance) P-C4' energy: -9.889
flat angles C4'-P-C4' energy: -9.652
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -8.220
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: 5, replica: 4
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -82.225973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.225973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.225973 (E_RNA)
where:
Base-Base interactions energy: -36.124
where: short stacking energy: -36.124
Base-Backbone interact. energy: -0.024
local terms energy: -46.077553
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -9.397
flat angles C4'-P-C4' energy: -10.667
flat angles P-C4'-P energy: -3.723
tors. eta vs tors. theta energy: -9.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -78.031079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.031079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.031079 (E_RNA)
where:
Base-Base interactions energy: -40.582
where: short stacking energy: -24.980
Base-Backbone interact. energy: -0.028
local terms energy: -37.420947
where:
bonds (distance) C4'-P energy: -9.422
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -10.068
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: 0.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -81.247972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.247972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.247972 (E_RNA)
where:
Base-Base interactions energy: -43.054
where: short stacking energy: -28.766
Base-Backbone interact. energy: -0.001
local terms energy: -38.193704
where:
bonds (distance) C4'-P energy: -10.156
bonds (distance) P-C4' energy: -8.487
flat angles C4'-P-C4' energy: -7.898
flat angles P-C4'-P energy: -5.338
tors. eta vs tors. theta energy: -6.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -70.752809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.752809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.752809 (E_RNA)
where:
Base-Base interactions energy: -28.806
where: short stacking energy: -28.806
Base-Backbone interact. energy: -0.017
local terms energy: -41.929915
where:
bonds (distance) C4'-P energy: -6.500
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -2.422
tors. eta vs tors. theta energy: -7.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -60.210421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.210421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.210421 (E_RNA)
where:
Base-Base interactions energy: -23.508
where: short stacking energy: -23.508
Base-Backbone interact. energy: -0.011
local terms energy: -36.690654
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -7.220
flat angles C4'-P-C4' energy: -8.586
flat angles P-C4'-P energy: -6.565
tors. eta vs tors. theta energy: -2.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -56.922861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.922861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.922861 (E_RNA)
where:
Base-Base interactions energy: -19.188
where: short stacking energy: -19.188
Base-Backbone interact. energy: -0.297
local terms energy: -37.438088
where:
bonds (distance) C4'-P energy: -7.767
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -4.710
tors. eta vs tors. theta energy: 1.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -139.810043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.810043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.810043 (E_RNA)
where:
Base-Base interactions energy: -85.442
where: short stacking energy: -47.084
Base-Backbone interact. energy: -0.053
local terms energy: -54.314868
where:
bonds (distance) C4'-P energy: -11.612
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -11.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -138.745595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.745595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.745595 (E_RNA)
where:
Base-Base interactions energy: -81.367
where: short stacking energy: -54.231
Base-Backbone interact. energy: -0.001
local terms energy: -57.377952
where:
bonds (distance) C4'-P energy: -12.590
bonds (distance) P-C4' energy: -8.003
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: -9.112
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: 3, replica: 7
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -122.227062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.227062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.227062 (E_RNA)
where:
Base-Base interactions energy: -72.107
where: short stacking energy: -38.472
Base-Backbone interact. energy: -0.049
local terms energy: -50.070868
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -8.744
flat angles P-C4'-P energy: -5.002
tors. eta vs tors. theta energy: -9.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -90.598533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.598533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.598533 (E_RNA)
where:
Base-Base interactions energy: -39.811
where: short stacking energy: -39.811
Base-Backbone interact. energy: -0.195
local terms energy: -50.593158
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -8.882
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -7.364
tors. eta vs tors. theta energy: -11.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -89.104025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.104025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.104025 (E_RNA)
where:
Base-Base interactions energy: -37.909
where: short stacking energy: -33.564
Base-Backbone interact. energy: -0.000
local terms energy: -51.195092
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -8.218
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -11.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -76.566794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.566794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.566794 (E_RNA)
where:
Base-Base interactions energy: -32.439
where: short stacking energy: -32.439
Base-Backbone interact. energy: -0.167
local terms energy: -43.960986
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -8.866
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -5.009
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: 414
Temperature: 1.200000
Total energy: -78.120543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.120543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.120543 (E_RNA)
where:
Base-Base interactions energy: -27.452
where: short stacking energy: -27.452
Base-Backbone interact. energy: -0.069
local terms energy: -50.599650
where:
bonds (distance) C4'-P energy: -10.200
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -8.771
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: 8, replica: 5
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -62.308208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.308208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.308208 (E_RNA)
where:
Base-Base interactions energy: -19.634
where: short stacking energy: -16.375
Base-Backbone interact. energy: -0.199
local terms energy: -42.474746
where:
bonds (distance) C4'-P energy: -10.602
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -11.180
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: 1.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -66.597789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.597789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.597789 (E_RNA)
where:
Base-Base interactions energy: -21.892
where: short stacking energy: -21.892
Base-Backbone interact. energy: 2.439
local terms energy: -47.144847
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -8.548
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -3.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -65.632469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.632469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.632469 (E_RNA)
where:
Base-Base interactions energy: -30.248
where: short stacking energy: -30.248
Base-Backbone interact. energy: -0.004
local terms energy: -35.380567
where:
bonds (distance) C4'-P energy: -8.353
bonds (distance) P-C4' energy: -10.694
flat angles C4'-P-C4' energy: -6.784
flat angles P-C4'-P energy: -6.479
tors. eta vs tors. theta energy: -3.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -135.474063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.474063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.474063 (E_RNA)
where:
Base-Base interactions energy: -83.599
where: short stacking energy: -52.203
Base-Backbone interact. energy: -0.000
local terms energy: -51.874716
where:
bonds (distance) C4'-P energy: -9.312
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -9.531
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -10.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -138.027490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.027490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.027490 (E_RNA)
where:
Base-Base interactions energy: -80.303
where: short stacking energy: -50.757
Base-Backbone interact. energy: -0.006
local terms energy: -57.718597
where:
bonds (distance) C4'-P energy: -8.972
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -13.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -108.062736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.062736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.062736 (E_RNA)
where:
Base-Base interactions energy: -63.228
where: short stacking energy: -33.883
Base-Backbone interact. energy: 0.641
local terms energy: -45.475673
where:
bonds (distance) C4'-P energy: -9.498
bonds (distance) P-C4' energy: -12.252
flat angles C4'-P-C4' energy: -10.775
flat angles P-C4'-P energy: -5.837
tors. eta vs tors. theta energy: -7.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -82.801689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.801689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.801689 (E_RNA)
where:
Base-Base interactions energy: -37.919
where: short stacking energy: -37.919
Base-Backbone interact. energy: -0.082
local terms energy: -44.801045
where:
bonds (distance) C4'-P energy: -8.959
bonds (distance) P-C4' energy: -10.137
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -5.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -86.591765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.591765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.591765 (E_RNA)
where:
Base-Base interactions energy: -39.232
where: short stacking energy: -34.468
Base-Backbone interact. energy: -0.145
local terms energy: -47.214877
where:
bonds (distance) C4'-P energy: -10.424
bonds (distance) P-C4' energy: -10.689
flat angles C4'-P-C4' energy: -10.057
flat angles P-C4'-P energy: -5.579
tors. eta vs tors. theta energy: -10.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -81.046680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.046680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.046680 (E_RNA)
where:
Base-Base interactions energy: -34.998
where: short stacking energy: -34.998
Base-Backbone interact. energy: -0.243
local terms energy: -45.805523
where:
bonds (distance) C4'-P energy: -9.054
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -6.077
tors. eta vs tors. theta energy: -5.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -85.997955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.997955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.997955 (E_RNA)
where:
Base-Base interactions energy: -37.237
where: short stacking energy: -35.491
Base-Backbone interact. energy: -0.004
local terms energy: -48.756711
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -9.250
flat angles C4'-P-C4' energy: -9.613
flat angles P-C4'-P energy: -5.905
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: 8, replica: 9
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -80.367820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.367820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.367820 (E_RNA)
where:
Base-Base interactions energy: -36.848
where: short stacking energy: -36.848
Base-Backbone interact. energy: -0.037
local terms energy: -43.482749
where:
bonds (distance) C4'-P energy: -8.499
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -6.959
flat angles P-C4'-P energy: -5.465
tors. eta vs tors. theta energy: -9.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -67.844184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.844184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.844184 (E_RNA)
where:
Base-Base interactions energy: -26.238
where: short stacking energy: -26.238
Base-Backbone interact. energy: -0.098
local terms energy: -41.508191
where:
bonds (distance) C4'-P energy: -8.259
bonds (distance) P-C4' energy: -9.052
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -4.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -65.529275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.529275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.529275 (E_RNA)
where:
Base-Base interactions energy: -26.150
where: short stacking energy: -20.925
Base-Backbone interact. energy: -0.167
local terms energy: -39.212901
where:
bonds (distance) C4'-P energy: -10.565
bonds (distance) P-C4' energy: -11.261
flat angles C4'-P-C4' energy: -7.643
flat angles P-C4'-P energy: -5.626
tors. eta vs tors. theta energy: -4.118
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: 416
Temperature: 0.900000
Total energy: -140.003484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.003484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.003484 (E_RNA)
where:
Base-Base interactions energy: -80.894
where: short stacking energy: -49.792
Base-Backbone interact. energy: -0.008
local terms energy: -59.101430
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -10.727
flat angles P-C4'-P energy: -8.772
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: 2
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -124.977334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.977334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.977334 (E_RNA)
where:
Base-Base interactions energy: -71.543
where: short stacking energy: -41.913
Base-Backbone interact. energy: -0.003
local terms energy: -53.430894
where:
bonds (distance) C4'-P energy: -8.611
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -11.031
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -10.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -119.545637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.545637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.545637 (E_RNA)
where:
Base-Base interactions energy: -70.644
where: short stacking energy: -37.612
Base-Backbone interact. energy: -0.082
local terms energy: -48.820362
where:
bonds (distance) C4'-P energy: -9.787
bonds (distance) P-C4' energy: -9.308
flat angles C4'-P-C4' energy: -9.584
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -11.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -83.492935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.492935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.492935 (E_RNA)
where:
Base-Base interactions energy: -36.947
where: short stacking energy: -35.677
Base-Backbone interact. energy: -0.104
local terms energy: -46.442186
where:
bonds (distance) C4'-P energy: -10.536
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -6.955
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -9.457
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: 4
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -79.276710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.276710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.276710 (E_RNA)
where:
Base-Base interactions energy: -32.712
where: short stacking energy: -32.712
Base-Backbone interact. energy: 0.655
local terms energy: -47.219680
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -10.401
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -2.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -87.517173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.517173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.517173 (E_RNA)
where:
Base-Base interactions energy: -41.745
where: short stacking energy: -41.745
Base-Backbone interact. energy: -0.109
local terms energy: -45.663388
where:
bonds (distance) C4'-P energy: -3.896
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -9.940
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -11.160
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: 3
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -85.451141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.451141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.451141 (E_RNA)
where:
Base-Base interactions energy: -30.540
where: short stacking energy: -30.540
Base-Backbone interact. energy: -0.023
local terms energy: -54.888136
where:
bonds (distance) C4'-P energy: -10.193
bonds (distance) P-C4' energy: -11.738
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -9.483
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: 9
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -67.835845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.835845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.835845 (E_RNA)
where:
Base-Base interactions energy: -26.942
where: short stacking energy: -16.421
Base-Backbone interact. energy: -0.261
local terms energy: -40.632628
where:
bonds (distance) C4'-P energy: -8.852
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -10.597
flat angles P-C4'-P energy: -7.073
tors. eta vs tors. theta energy: -2.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -76.813667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.813667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.813667 (E_RNA)
where:
Base-Base interactions energy: -27.190
where: short stacking energy: -27.151
Base-Backbone interact. energy: -0.210
local terms energy: -49.413408
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -11.278
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -6.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -61.996114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.996114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.996114 (E_RNA)
where:
Base-Base interactions energy: -22.121
where: short stacking energy: -18.325
Base-Backbone interact. energy: -0.663
local terms energy: -39.212217
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -9.077
flat angles C4'-P-C4' energy: -9.418
flat angles P-C4'-P energy: -5.662
tors. eta vs tors. theta energy: -3.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -142.595566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.595566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.595566 (E_RNA)
where:
Base-Base interactions energy: -85.419
where: short stacking energy: -48.862
Base-Backbone interact. energy: -0.026
local terms energy: -57.150932
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -9.419
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -15.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -132.031869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.031869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.031869 (E_RNA)
where:
Base-Base interactions energy: -77.702
where: short stacking energy: -50.747
Base-Backbone interact. energy: -0.126
local terms energy: -54.204149
where:
bonds (distance) C4'-P energy: -8.773
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -10.481
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -14.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -124.354574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.354574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.354574 (E_RNA)
where:
Base-Base interactions energy: -70.502
where: short stacking energy: -40.401
Base-Backbone interact. energy: -0.191
local terms energy: -53.661522
where:
bonds (distance) C4'-P energy: -10.856
bonds (distance) P-C4' energy: -11.382
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -5.975
tors. eta vs tors. theta energy: -12.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -95.549540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.549540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.549540 (E_RNA)
where:
Base-Base interactions energy: -45.457
where: short stacking energy: -45.457
Base-Backbone interact. energy: -0.004
local terms energy: -50.089017
where:
bonds (distance) C4'-P energy: -7.535
bonds (distance) P-C4' energy: -11.207
flat angles C4'-P-C4' energy: -8.809
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -12.309
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: 4
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -75.264516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.264516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.264516 (E_RNA)
where:
Base-Base interactions energy: -32.724
where: short stacking energy: -32.724
Base-Backbone interact. energy: -0.004
local terms energy: -42.536928
where:
bonds (distance) C4'-P energy: -6.955
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -10.050
flat angles P-C4'-P energy: -4.502
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: 6, replica: 3
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -75.410011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.410011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.410011 (E_RNA)
where:
Base-Base interactions energy: -28.698
where: short stacking energy: -28.698
Base-Backbone interact. energy: -0.000
local terms energy: -46.711393
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -10.762
flat angles C4'-P-C4' energy: -8.776
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -5.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -59.640609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.640609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.640609 (E_RNA)
where:
Base-Base interactions energy: -25.078
where: short stacking energy: -16.272
Base-Backbone interact. energy: 0.026
local terms energy: -34.589028
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -9.276
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -4.595
tors. eta vs tors. theta energy: 0.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -72.862115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.862115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.862115 (E_RNA)
where:
Base-Base interactions energy: -28.201
where: short stacking energy: -28.201
Base-Backbone interact. energy: -0.125
local terms energy: -44.535660
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -9.893
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -3.015
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: 9, replica: 9
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -60.489427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.489427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.489427 (E_RNA)
where:
Base-Base interactions energy: -26.661
where: short stacking energy: -15.829
Base-Backbone interact. energy: -0.256
local terms energy: -33.572916
where:
bonds (distance) C4'-P energy: -7.772
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -8.691
flat angles P-C4'-P energy: -4.176
tors. eta vs tors. theta energy: -0.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -62.635991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.635991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.635991 (E_RNA)
where:
Base-Base interactions energy: -23.757
where: short stacking energy: -23.757
Base-Backbone interact. energy: -0.208
local terms energy: -38.671634
where:
bonds (distance) C4'-P energy: -9.535
bonds (distance) P-C4' energy: -10.682
flat angles C4'-P-C4' energy: -8.239
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -2.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -143.216305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.216305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.216305 (E_RNA)
where:
Base-Base interactions energy: -85.931
where: short stacking energy: -52.275
Base-Backbone interact. energy: -0.000
local terms energy: -57.285452
where:
bonds (distance) C4'-P energy: -9.978
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -7.327
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: 2, replica: 7
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -125.219295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.219295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.219295 (E_RNA)
where:
Base-Base interactions energy: -68.599
where: short stacking energy: -36.716
Base-Backbone interact. energy: -0.171
local terms energy: -56.449527
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -10.676
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -11.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -125.853549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.853549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.853549 (E_RNA)
where:
Base-Base interactions energy: -74.520
where: short stacking energy: -45.951
Base-Backbone interact. energy: -0.123
local terms energy: -51.210879
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -5.961
tors. eta vs tors. theta energy: -10.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -80.162468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.162468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.162468 (E_RNA)
where:
Base-Base interactions energy: -38.990
where: short stacking energy: -38.990
Base-Backbone interact. energy: -0.121
local terms energy: -41.051560
where:
bonds (distance) C4'-P energy: -10.181
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -3.251
tors. eta vs tors. theta energy: -3.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -76.765278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.765278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.765278 (E_RNA)
where:
Base-Base interactions energy: -29.913
where: short stacking energy: -29.913
Base-Backbone interact. energy: -0.203
local terms energy: -46.649561
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -10.583
flat angles P-C4'-P energy: -6.013
tors. eta vs tors. theta energy: -3.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -71.330725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.330725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.330725 (E_RNA)
where:
Base-Base interactions energy: -32.902
where: short stacking energy: -24.357
Base-Backbone interact. energy: 0.022
local terms energy: -38.451107
where:
bonds (distance) C4'-P energy: -9.542
bonds (distance) P-C4' energy: -12.065
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -5.709
tors. eta vs tors. theta energy: -0.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -91.445588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.445588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.445588 (E_RNA)
where:
Base-Base interactions energy: -37.624
where: short stacking energy: -37.624
Base-Backbone interact. energy: 0.931
local terms energy: -54.752882
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -9.439
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: 8, replica: 8
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -72.367771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.367771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.367771 (E_RNA)
where:
Base-Base interactions energy: -31.139
where: short stacking energy: -31.139
Base-Backbone interact. energy: -0.116
local terms energy: -41.113042
where:
bonds (distance) C4'-P energy: -8.496
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -3.150
tors. eta vs tors. theta energy: -4.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -72.281412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.281412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.281412 (E_RNA)
where:
Base-Base interactions energy: -25.653
where: short stacking energy: -25.653
Base-Backbone interact. energy: -0.037
local terms energy: -46.591475
where:
bonds (distance) C4'-P energy: -10.793
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -9.749
flat angles P-C4'-P energy: -6.843
tors. eta vs tors. theta energy: -5.755
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: 5
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -62.771025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.771025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.771025 (E_RNA)
where:
Base-Base interactions energy: -32.184
where: short stacking energy: -19.511
Base-Backbone interact. energy: -0.217
local terms energy: -30.369923
where:
bonds (distance) C4'-P energy: -8.680
bonds (distance) P-C4' energy: -10.259
flat angles C4'-P-C4' energy: -8.668
flat angles P-C4'-P energy: -4.988
tors. eta vs tors. theta energy: 2.226
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: 1
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -133.992861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.992861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.992861 (E_RNA)
where:
Base-Base interactions energy: -77.139
where: short stacking energy: -47.225
Base-Backbone interact. energy: -0.037
local terms energy: -56.817423
where:
bonds (distance) C4'-P energy: -11.443
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -9.007
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: 2
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -135.829815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.829815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.829815 (E_RNA)
where:
Base-Base interactions energy: -78.688
where: short stacking energy: -51.557
Base-Backbone interact. energy: -0.164
local terms energy: -56.977862
where:
bonds (distance) C4'-P energy: -11.025
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -10.696
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -14.754
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: 7
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -146.242533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.242533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.242533 (E_RNA)
where:
Base-Base interactions energy: -81.952
where: short stacking energy: -50.257
Base-Backbone interact. energy: -0.090
local terms energy: -64.200402
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -7.018
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: 4, replica: 6
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -102.521147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.521147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.521147 (E_RNA)
where:
Base-Base interactions energy: -45.371
where: short stacking energy: -38.114
Base-Backbone interact. energy: -0.000
local terms energy: -57.150021
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -11.160
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -10.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -81.083677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.083677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.083677 (E_RNA)
where:
Base-Base interactions energy: -35.938
where: short stacking energy: -35.938
Base-Backbone interact. energy: -0.000
local terms energy: -45.145632
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -9.255
flat angles C4'-P-C4' energy: -9.678
flat angles P-C4'-P energy: -5.001
tors. eta vs tors. theta energy: -8.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -82.405510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.405510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.405510 (E_RNA)
where:
Base-Base interactions energy: -30.216
where: short stacking energy: -30.216
Base-Backbone interact. energy: -0.204
local terms energy: -51.984934
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -8.378
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -8.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -70.896379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.896379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.896379 (E_RNA)
where:
Base-Base interactions energy: -33.972
where: short stacking energy: -33.972
Base-Backbone interact. energy: 1.742
local terms energy: -38.666785
where:
bonds (distance) C4'-P energy: -6.919
bonds (distance) P-C4' energy: -11.366
flat angles C4'-P-C4' energy: -9.604
flat angles P-C4'-P energy: -4.444
tors. eta vs tors. theta energy: -6.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -71.928103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.928103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.928103 (E_RNA)
where:
Base-Base interactions energy: -29.443
where: short stacking energy: -29.442
Base-Backbone interact. energy: -0.205
local terms energy: -42.280362
where:
bonds (distance) C4'-P energy: -10.334
bonds (distance) P-C4' energy: -8.249
flat angles C4'-P-C4' energy: -10.451
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -5.587
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: 419
Temperature: 1.300000
Total energy: -57.328985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.328985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.328985 (E_RNA)
where:
Base-Base interactions energy: -17.506
where: short stacking energy: -17.506
Base-Backbone interact. energy: 0.157
local terms energy: -39.980654
where:
bonds (distance) C4'-P energy: -10.705
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -2.726
tors. eta vs tors. theta energy: -2.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -59.719430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.719430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.719430 (E_RNA)
where:
Base-Base interactions energy: -21.199
where: short stacking energy: -21.299
Base-Backbone interact. energy: 1.973
local terms energy: -40.493923
where:
bonds (distance) C4'-P energy: -7.288
bonds (distance) P-C4' energy: -12.346
flat angles C4'-P-C4' energy: -10.538
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -2.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -135.362077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.362077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.362077 (E_RNA)
where:
Base-Base interactions energy: -80.982
where: short stacking energy: -45.858
Base-Backbone interact. energy: -0.004
local terms energy: -54.376147
where:
bonds (distance) C4'-P energy: -13.256
bonds (distance) P-C4' energy: -10.985
flat angles C4'-P-C4' energy: -10.161
flat angles P-C4'-P energy: -5.615
tors. eta vs tors. theta energy: -14.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -128.612095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.612095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.612095 (E_RNA)
where:
Base-Base interactions energy: -74.846
where: short stacking energy: -46.900
Base-Backbone interact. energy: -0.096
local terms energy: -53.670499
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -9.826
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: 3, replica: 6
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -97.582153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.582153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.582153 (E_RNA)
where:
Base-Base interactions energy: -51.548
where: short stacking energy: -36.478
Base-Backbone interact. energy: -0.032
local terms energy: -46.002206
where:
bonds (distance) C4'-P energy: -10.569
bonds (distance) P-C4' energy: -10.930
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -4.852
tors. eta vs tors. theta energy: -7.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -135.172691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.172691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.172691 (E_RNA)
where:
Base-Base interactions energy: -80.176
where: short stacking energy: -45.296
Base-Backbone interact. energy: -0.016
local terms energy: -54.980677
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -4.652
tors. eta vs tors. theta energy: -11.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -87.237276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.237276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.237276 (E_RNA)
where:
Base-Base interactions energy: -35.073
where: short stacking energy: -35.073
Base-Backbone interact. energy: -0.053
local terms energy: -52.111423
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -5.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -73.191868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.191868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.191868 (E_RNA)
where:
Base-Base interactions energy: -36.188
where: short stacking energy: -28.116
Base-Backbone interact. energy: -0.018
local terms energy: -36.986151
where:
bonds (distance) C4'-P energy: -8.313
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -10.985
flat angles P-C4'-P energy: -4.191
tors. eta vs tors. theta energy: -1.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -75.571770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.571770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.571770 (E_RNA)
where:
Base-Base interactions energy: -31.642
where: short stacking energy: -27.217
Base-Backbone interact. energy: -0.044
local terms energy: -43.885471
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -7.456
flat angles C4'-P-C4' energy: -7.709
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -8.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -72.853184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.853184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.853184 (E_RNA)
where:
Base-Base interactions energy: -28.267
where: short stacking energy: -28.267
Base-Backbone interact. energy: -0.034
local terms energy: -44.552603
where:
bonds (distance) C4'-P energy: -8.363
bonds (distance) P-C4' energy: -10.390
flat angles C4'-P-C4' energy: -10.190
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -66.018529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.018529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.018529 (E_RNA)
where:
Base-Base interactions energy: -25.735
where: short stacking energy: -15.667
Base-Backbone interact. energy: -0.381
local terms energy: -39.901736
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -9.676
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: 1.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -66.559369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.559369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.559369 (E_RNA)
where:
Base-Base interactions energy: -27.459
where: short stacking energy: -24.112
Base-Backbone interact. energy: -0.115
local terms energy: -38.985993
where:
bonds (distance) C4'-P energy: -8.355
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -10.653
flat angles P-C4'-P energy: -4.683
tors. eta vs tors. theta energy: -4.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -148.419870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.419870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.419870 (E_RNA)
where:
Base-Base interactions energy: -89.844
where: short stacking energy: -53.699
Base-Backbone interact. energy: -0.082
local terms energy: -58.494228
where:
bonds (distance) C4'-P energy: -9.878
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -6.135
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: 2, replica: 6
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -126.562678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.562678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.562678 (E_RNA)
where:
Base-Base interactions energy: -67.721
where: short stacking energy: -46.695
Base-Backbone interact. energy: -0.041
local terms energy: -58.801198
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -10.991
flat angles C4'-P-C4' energy: -11.209
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -15.247
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: 3, replica: 1
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -120.452375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.452375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.452375 (E_RNA)
where:
Base-Base interactions energy: -65.402
where: short stacking energy: -38.073
Base-Backbone interact. energy: -0.015
local terms energy: -55.035003
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -6.871
tors. eta vs tors. theta energy: -10.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -86.657586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.657586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.657586 (E_RNA)
where:
Base-Base interactions energy: -37.841
where: short stacking energy: -37.841
Base-Backbone interact. energy: -0.000
local terms energy: -48.815795
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -9.652
flat angles C4'-P-C4' energy: -10.146
flat angles P-C4'-P energy: -4.871
tors. eta vs tors. theta energy: -10.680
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: 7
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -130.905381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.905381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.905381 (E_RNA)
where:
Base-Base interactions energy: -74.435
where: short stacking energy: -43.041
Base-Backbone interact. energy: -0.000
local terms energy: -56.469562
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -7.304
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -14.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -66.321834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.321834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.321834 (E_RNA)
where:
Base-Base interactions energy: -26.502
where: short stacking energy: -26.502
Base-Backbone interact. energy: -0.015
local terms energy: -39.804425
where:
bonds (distance) C4'-P energy: -8.865
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -11.223
flat angles P-C4'-P energy: -5.394
tors. eta vs tors. theta energy: 0.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -76.183064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.183064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.183064 (E_RNA)
where:
Base-Base interactions energy: -32.052
where: short stacking energy: -32.052
Base-Backbone interact. energy: -0.114
local terms energy: -44.017254
where:
bonds (distance) C4'-P energy: -10.181
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -10.586
flat angles P-C4'-P energy: -7.141
tors. eta vs tors. theta energy: -4.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -70.949548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.949548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.949548 (E_RNA)
where:
Base-Base interactions energy: -31.875
where: short stacking energy: -25.722
Base-Backbone interact. energy: -0.014
local terms energy: -39.060340
where:
bonds (distance) C4'-P energy: -5.333
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -8.896
flat angles P-C4'-P energy: -3.683
tors. eta vs tors. theta energy: -8.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -73.814980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.814980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.814980 (E_RNA)
where:
Base-Base interactions energy: -28.265
where: short stacking energy: -28.265
Base-Backbone interact. energy: -0.138
local terms energy: -45.412496
where:
bonds (distance) C4'-P energy: -11.257
bonds (distance) P-C4' energy: -10.281
flat angles C4'-P-C4' energy: -8.936
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -5.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -65.890563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.890563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.890563 (E_RNA)
where:
Base-Base interactions energy: -29.217
where: short stacking energy: -18.256
Base-Backbone interact. energy: -0.376
local terms energy: -36.296963
where:
bonds (distance) C4'-P energy: -10.556
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -8.076
flat angles P-C4'-P energy: -3.819
tors. eta vs tors. theta energy: -1.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -127.527958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.527958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.527958 (E_RNA)
where:
Base-Base interactions energy: -67.864
where: short stacking energy: -47.557
Base-Backbone interact. energy: -0.098
local terms energy: -59.566594
where:
bonds (distance) C4'-P energy: -9.878
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -9.185
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: 2, replica: 2
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -123.602076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.602076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.602076 (E_RNA)
where:
Base-Base interactions energy: -70.198
where: short stacking energy: -39.707
Base-Backbone interact. energy: -0.148
local terms energy: -53.256250
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -6.589
tors. eta vs tors. theta energy: -6.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -112.011150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.011150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.011150 (E_RNA)
where:
Base-Base interactions energy: -63.262
where: short stacking energy: -37.251
Base-Backbone interact. energy: -0.074
local terms energy: -48.674986
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -5.993
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -8.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -80.929287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.929287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.929287 (E_RNA)
where:
Base-Base interactions energy: -33.058
where: short stacking energy: -33.058
Base-Backbone interact. energy: -0.007
local terms energy: -47.863771
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -10.599
flat angles P-C4'-P energy: -5.964
tors. eta vs tors. theta energy: -6.101
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: 5, replica: 9
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -86.115346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.115346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.115346 (E_RNA)
where:
Base-Base interactions energy: -35.083
where: short stacking energy: -35.083
Base-Backbone interact. energy: -0.020
local terms energy: -51.011916
where:
bonds (distance) C4'-P energy: -10.730
bonds (distance) P-C4' energy: -11.867
flat angles C4'-P-C4' energy: -11.072
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -10.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -108.961218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.961218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.961218 (E_RNA)
where:
Base-Base interactions energy: -59.718
where: short stacking energy: -34.037
Base-Backbone interact. energy: 0.786
local terms energy: -50.029657
where:
bonds (distance) C4'-P energy: -11.097
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -9.224
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -7.361
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: 10
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -76.397530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.397530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.397530 (E_RNA)
where:
Base-Base interactions energy: -28.815
where: short stacking energy: -28.815
Base-Backbone interact. energy: -0.036
local terms energy: -47.546375
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -9.881
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -8.703
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: 8, replica: 8
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -76.474042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.474042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.474042 (E_RNA)
where:
Base-Base interactions energy: -28.691
where: short stacking energy: -27.549
Base-Backbone interact. energy: -0.000
local terms energy: -47.782236
where:
bonds (distance) C4'-P energy: -11.442
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -9.652
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -6.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -67.525366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.525366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.525366 (E_RNA)
where:
Base-Base interactions energy: -25.750
where: short stacking energy: -25.750
Base-Backbone interact. energy: -0.129
local terms energy: -41.647033
where:
bonds (distance) C4'-P energy: -11.538
bonds (distance) P-C4' energy: -10.071
flat angles C4'-P-C4' energy: -11.029
flat angles P-C4'-P energy: -4.630
tors. eta vs tors. theta energy: -4.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -64.087334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.087334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.087334 (E_RNA)
where:
Base-Base interactions energy: -27.945
where: short stacking energy: -27.945
Base-Backbone interact. energy: -0.002
local terms energy: -36.140239
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -8.480
flat angles P-C4'-P energy: 1.689
tors. eta vs tors. theta energy: -5.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -145.933589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.933589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.933589 (E_RNA)
where:
Base-Base interactions energy: -77.471
where: short stacking energy: -54.191
Base-Backbone interact. energy: -0.011
local terms energy: -68.451684
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -18.060
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: 2
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -134.245193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.245193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.245193 (E_RNA)
where:
Base-Base interactions energy: -77.587
where: short stacking energy: -44.355
Base-Backbone interact. energy: -0.067
local terms energy: -56.591016
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -6.188
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: 3, replica: 1
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -111.047009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.047009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.047009 (E_RNA)
where:
Base-Base interactions energy: -65.141
where: short stacking energy: -39.070
Base-Backbone interact. energy: -0.098
local terms energy: -45.808744
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -9.389
flat angles C4'-P-C4' energy: -10.391
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -5.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -90.790593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.790593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.790593 (E_RNA)
where:
Base-Base interactions energy: -39.054
where: short stacking energy: -39.054
Base-Backbone interact. energy: 1.339
local terms energy: -53.074993
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -10.635
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -7.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -74.268069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.268069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.268069 (E_RNA)
where:
Base-Base interactions energy: -23.902
where: short stacking energy: -23.902
Base-Backbone interact. energy: -0.029
local terms energy: -50.336518
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -10.327
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -4.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -107.741082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.741082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.741082 (E_RNA)
where:
Base-Base interactions energy: -57.931
where: short stacking energy: -32.725
Base-Backbone interact. energy: -0.741
local terms energy: -49.069019
where:
bonds (distance) C4'-P energy: -9.281
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -5.936
tors. eta vs tors. theta energy: -7.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -78.148505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.148505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.148505 (E_RNA)
where:
Base-Base interactions energy: -34.877
where: short stacking energy: -34.877
Base-Backbone interact. energy: -0.011
local terms energy: -43.260463
where:
bonds (distance) C4'-P energy: -6.902
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -10.280
flat angles P-C4'-P energy: -4.913
tors. eta vs tors. theta energy: -9.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -72.590512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.590512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.590512 (E_RNA)
where:
Base-Base interactions energy: -27.426
where: short stacking energy: -27.426
Base-Backbone interact. energy: -0.141
local terms energy: -45.023272
where:
bonds (distance) C4'-P energy: -10.946
bonds (distance) P-C4' energy: -8.563
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -5.085
tors. eta vs tors. theta energy: -6.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -65.760325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.760325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.760325 (E_RNA)
where:
Base-Base interactions energy: -24.234
where: short stacking energy: -24.234
Base-Backbone interact. energy: 1.843
local terms energy: -43.369407
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -2.998
tors. eta vs tors. theta energy: -3.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -63.867166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.867166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.867166 (E_RNA)
where:
Base-Base interactions energy: -23.578
where: short stacking energy: -23.578
Base-Backbone interact. energy: 0.081
local terms energy: -40.369551
where:
bonds (distance) C4'-P energy: -7.080
bonds (distance) P-C4' energy: -11.812
flat angles C4'-P-C4' energy: -7.173
flat angles P-C4'-P energy: -7.079
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: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -137.576655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.576655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.576655 (E_RNA)
where:
Base-Base interactions energy: -82.903
where: short stacking energy: -51.469
Base-Backbone interact. energy: -0.004
local terms energy: -54.669272
where:
bonds (distance) C4'-P energy: -10.644
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -5.620
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: 2, replica: 6
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -137.263604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.263604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.263604 (E_RNA)
where:
Base-Base interactions energy: -79.022
where: short stacking energy: -55.083
Base-Backbone interact. energy: -0.242
local terms energy: -58.000359
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -11.018
flat angles P-C4'-P energy: -4.818
tors. eta vs tors. theta energy: -16.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -119.483601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.483601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.483601 (E_RNA)
where:
Base-Base interactions energy: -69.116
where: short stacking energy: -40.776
Base-Backbone interact. energy: -0.150
local terms energy: -50.217868
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -12.346
flat angles P-C4'-P energy: -5.741
tors. eta vs tors. theta energy: -9.331
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: 9
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -87.620756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.620756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.620756 (E_RNA)
where:
Base-Base interactions energy: -39.742
where: short stacking energy: -35.700
Base-Backbone interact. energy: -0.144
local terms energy: -47.734663
where:
bonds (distance) C4'-P energy: -11.338
bonds (distance) P-C4' energy: -11.740
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -4.616
tors. eta vs tors. theta energy: -8.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -78.491622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.491622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.491622 (E_RNA)
where:
Base-Base interactions energy: -33.184
where: short stacking energy: -33.184
Base-Backbone interact. energy: -0.105
local terms energy: -45.202273
where:
bonds (distance) C4'-P energy: -8.748
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -10.729
flat angles P-C4'-P energy: -5.896
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: 6, replica: 3
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -76.996274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.996274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.996274 (E_RNA)
where:
Base-Base interactions energy: -28.445
where: short stacking energy: -28.445
Base-Backbone interact. energy: -0.004
local terms energy: -48.546547
where:
bonds (distance) C4'-P energy: -10.651
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -10.531
flat angles P-C4'-P energy: -6.412
tors. eta vs tors. theta energy: -8.163
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: 8
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -68.283965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.283965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.283965 (E_RNA)
where:
Base-Base interactions energy: -30.054
where: short stacking energy: -26.090
Base-Backbone interact. energy: 0.003
local terms energy: -38.232804
where:
bonds (distance) C4'-P energy: -8.264
bonds (distance) P-C4' energy: -10.486
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: -1.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -68.070249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.070249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.070249 (E_RNA)
where:
Base-Base interactions energy: -27.649
where: short stacking energy: -27.649
Base-Backbone interact. energy: 0.036
local terms energy: -40.457314
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -11.451
flat angles C4'-P-C4' energy: -8.204
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -2.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -68.127743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.127743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.127743 (E_RNA)
where:
Base-Base interactions energy: -24.691
where: short stacking energy: -21.676
Base-Backbone interact. energy: 1.542
local terms energy: -44.978951
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -7.671
flat angles P-C4'-P energy: -7.229
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: 5
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -64.336042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.336042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.336042 (E_RNA)
where:
Base-Base interactions energy: -26.492
where: short stacking energy: -24.268
Base-Backbone interact. energy: -0.159
local terms energy: -37.685183
where:
bonds (distance) C4'-P energy: -9.021
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -8.461
flat angles P-C4'-P energy: -6.028
tors. eta vs tors. theta energy: -2.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -151.113939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.113939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.113939 (E_RNA)
where:
Base-Base interactions energy: -93.531
where: short stacking energy: -59.019
Base-Backbone interact. energy: -0.004
local terms energy: -57.578375
where:
bonds (distance) C4'-P energy: -8.044
bonds (distance) P-C4' energy: -11.160
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -9.456
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: 1
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -121.297636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.297636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.297636 (E_RNA)
where:
Base-Base interactions energy: -73.142
where: short stacking energy: -40.946
Base-Backbone interact. energy: -0.090
local terms energy: -48.065614
where:
bonds (distance) C4'-P energy: -8.045
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -9.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -128.738709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.738709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.738709 (E_RNA)
where:
Base-Base interactions energy: -71.478
where: short stacking energy: -47.911
Base-Backbone interact. energy: -0.033
local terms energy: -57.227780
where:
bonds (distance) C4'-P energy: -9.792
bonds (distance) P-C4' energy: -10.817
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -15.360
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: 7
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -73.428207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.428207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.428207 (E_RNA)
where:
Base-Base interactions energy: -30.196
where: short stacking energy: -30.196
Base-Backbone interact. energy: -0.119
local terms energy: -43.113809
where:
bonds (distance) C4'-P energy: -7.785
bonds (distance) P-C4' energy: -8.108
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -5.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -88.335537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.335537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.335537 (E_RNA)
where:
Base-Base interactions energy: -39.997
where: short stacking energy: -39.997
Base-Backbone interact. energy: -0.007
local terms energy: -48.331726
where:
bonds (distance) C4'-P energy: -9.618
bonds (distance) P-C4' energy: -11.600
flat angles C4'-P-C4' energy: -9.342
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -9.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -75.740400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.740400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.740400 (E_RNA)
where:
Base-Base interactions energy: -27.382
where: short stacking energy: -27.382
Base-Backbone interact. energy: -0.048
local terms energy: -48.310338
where:
bonds (distance) C4'-P energy: -7.416
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -8.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -69.100315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.100315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.100315 (E_RNA)
where:
Base-Base interactions energy: -21.260
where: short stacking energy: -21.260
Base-Backbone interact. energy: -0.038
local terms energy: -47.801966
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -6.970
tors. eta vs tors. theta energy: -2.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -72.531730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.531730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.531730 (E_RNA)
where:
Base-Base interactions energy: -24.312
where: short stacking energy: -24.312
Base-Backbone interact. energy: -0.085
local terms energy: -48.134987
where:
bonds (distance) C4'-P energy: -9.604
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -12.057
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -4.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -59.273655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.273655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.273655 (E_RNA)
where:
Base-Base interactions energy: -21.469
where: short stacking energy: -21.469
Base-Backbone interact. energy: -0.027
local terms energy: -37.776865
where:
bonds (distance) C4'-P energy: -5.502
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -5.417
tors. eta vs tors. theta energy: -3.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -58.855465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.855465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.855465 (E_RNA)
where:
Base-Base interactions energy: -25.242
where: short stacking energy: -25.242
Base-Backbone interact. energy: -0.181
local terms energy: -33.431912
where:
bonds (distance) C4'-P energy: -12.457
bonds (distance) P-C4' energy: -6.728
flat angles C4'-P-C4' energy: -9.131
flat angles P-C4'-P energy: -3.807
tors. eta vs tors. theta energy: -1.309
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: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -146.726724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.726724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.726724 (E_RNA)
where:
Base-Base interactions energy: -87.767
where: short stacking energy: -54.481
Base-Backbone interact. energy: -0.007
local terms energy: -58.952987
where:
bonds (distance) C4'-P energy: -9.906
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -8.977
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: 2, replica: 1
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -133.069970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.069970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.069970 (E_RNA)
where:
Base-Base interactions energy: -74.269
where: short stacking energy: -38.958
Base-Backbone interact. energy: -0.464
local terms energy: -58.337252
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -5.780
tors. eta vs tors. theta energy: -11.349
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: 6
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -108.651820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.651820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.651820 (E_RNA)
where:
Base-Base interactions energy: -57.815
where: short stacking energy: -32.440
Base-Backbone interact. energy: -0.050
local terms energy: -50.786208
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -5.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -102.877823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.877823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.877823 (E_RNA)
where:
Base-Base interactions energy: -51.020
where: short stacking energy: -51.020
Base-Backbone interact. energy: -0.007
local terms energy: -51.850261
where:
bonds (distance) C4'-P energy: -7.468
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -12.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -75.301403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.301403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.301403 (E_RNA)
where:
Base-Base interactions energy: -28.412
where: short stacking energy: -23.182
Base-Backbone interact. energy: -0.059
local terms energy: -46.829599
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -7.513
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: 6, replica: 9
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -74.429536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.429536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.429536 (E_RNA)
where:
Base-Base interactions energy: -36.078
where: short stacking energy: -36.078
Base-Backbone interact. energy: -0.080
local terms energy: -38.272005
where:
bonds (distance) C4'-P energy: -10.259
bonds (distance) P-C4' energy: -9.463
flat angles C4'-P-C4' energy: -9.732
flat angles P-C4'-P energy: -3.539
tors. eta vs tors. theta energy: -5.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -73.497309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.497309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.497309 (E_RNA)
where:
Base-Base interactions energy: -31.835
where: short stacking energy: -31.835
Base-Backbone interact. energy: -0.002
local terms energy: -41.660648
where:
bonds (distance) C4'-P energy: -6.176
bonds (distance) P-C4' energy: -9.492
flat angles C4'-P-C4' energy: -10.559
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -7.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -75.993655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.993655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.993655 (E_RNA)
where:
Base-Base interactions energy: -26.221
where: short stacking energy: -26.221
Base-Backbone interact. energy: -0.067
local terms energy: -49.704884
where:
bonds (distance) C4'-P energy: -9.796
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -8.381
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -8.847
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: 10
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -65.609243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.609243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.609243 (E_RNA)
where:
Base-Base interactions energy: -28.171
where: short stacking energy: -28.171
Base-Backbone interact. energy: 0.151
local terms energy: -37.589423
where:
bonds (distance) C4'-P energy: -10.917
bonds (distance) P-C4' energy: -9.590
flat angles C4'-P-C4' energy: -11.188
flat angles P-C4'-P energy: -3.346
tors. eta vs tors. theta energy: -2.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -61.353212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.353212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.353212 (E_RNA)
where:
Base-Base interactions energy: -16.785
where: short stacking energy: -16.785
Base-Backbone interact. energy: -0.143
local terms energy: -44.425655
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -11.102
flat angles C4'-P-C4' energy: -8.724
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -1.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -132.829279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.829279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.829279 (E_RNA)
where:
Base-Base interactions energy: -75.890
where: short stacking energy: -47.007
Base-Backbone interact. energy: -0.120
local terms energy: -56.819417
where:
bonds (distance) C4'-P energy: -9.124
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -10.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -138.604202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.604202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.604202 (E_RNA)
where:
Base-Base interactions energy: -85.932
where: short stacking energy: -49.733
Base-Backbone interact. energy: -0.125
local terms energy: -52.546828
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -10.884
flat angles C4'-P-C4' energy: -8.516
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: -14.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -135.309538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.309538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.309538 (E_RNA)
where:
Base-Base interactions energy: -76.057
where: short stacking energy: -51.687
Base-Backbone interact. energy: -0.000
local terms energy: -59.252712
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -14.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -99.306554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.306554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.306554 (E_RNA)
where:
Base-Base interactions energy: -42.801
where: short stacking energy: -39.934
Base-Backbone interact. energy: -0.060
local terms energy: -56.446216
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -11.443
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: -12.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -90.784514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.784514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.784514 (E_RNA)
where:
Base-Base interactions energy: -37.509
where: short stacking energy: -33.249
Base-Backbone interact. energy: -0.077
local terms energy: -53.198554
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -8.764
flat angles P-C4'-P energy: -6.748
tors. eta vs tors. theta energy: -11.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -83.733766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.733766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.733766 (E_RNA)
where:
Base-Base interactions energy: -34.185
where: short stacking energy: -34.185
Base-Backbone interact. energy: -0.088
local terms energy: -49.460696
where:
bonds (distance) C4'-P energy: -10.515
bonds (distance) P-C4' energy: -9.844
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -8.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -69.201429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.201429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.201429 (E_RNA)
where:
Base-Base interactions energy: -21.434
where: short stacking energy: -21.434
Base-Backbone interact. energy: -0.726
local terms energy: -47.040889
where:
bonds (distance) C4'-P energy: -9.708
bonds (distance) P-C4' energy: -14.932
flat angles C4'-P-C4' energy: -10.149
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -4.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -61.952192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.952192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.952192 (E_RNA)
where:
Base-Base interactions energy: -24.222
where: short stacking energy: -24.222
Base-Backbone interact. energy: -0.161
local terms energy: -37.569368
where:
bonds (distance) C4'-P energy: -5.354
bonds (distance) P-C4' energy: -9.781
flat angles C4'-P-C4' energy: -10.224
flat angles P-C4'-P energy: -4.608
tors. eta vs tors. theta energy: -7.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -64.769379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.769379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.769379 (E_RNA)
where:
Base-Base interactions energy: -21.712
where: short stacking energy: -21.712
Base-Backbone interact. energy: -0.122
local terms energy: -42.935697
where:
bonds (distance) C4'-P energy: -10.326
bonds (distance) P-C4' energy: -9.758
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -2.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -70.036731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.036731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.036731 (E_RNA)
where:
Base-Base interactions energy: -33.518
where: short stacking energy: -33.518
Base-Backbone interact. energy: -0.007
local terms energy: -36.510895
where:
bonds (distance) C4'-P energy: -10.135
bonds (distance) P-C4' energy: -5.628
flat angles C4'-P-C4' energy: -8.154
flat angles P-C4'-P energy: -5.503
tors. eta vs tors. theta energy: -7.091
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: 1
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -138.971604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.971604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.971604 (E_RNA)
where:
Base-Base interactions energy: -82.094
where: short stacking energy: -52.106
Base-Backbone interact. energy: -0.020
local terms energy: -56.857850
where:
bonds (distance) C4'-P energy: -10.821
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -6.535
tors. eta vs tors. theta energy: -12.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -134.378580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.378580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.378580 (E_RNA)
where:
Base-Base interactions energy: -75.990
where: short stacking energy: -42.881
Base-Backbone interact. energy: -0.130
local terms energy: -58.258088
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -9.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -100.126493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.126493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.126493 (E_RNA)
where:
Base-Base interactions energy: -38.641
where: short stacking energy: -38.641
Base-Backbone interact. energy: -0.004
local terms energy: -61.481851
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -13.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -112.376771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.376771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.376771 (E_RNA)
where:
Base-Base interactions energy: -60.378
where: short stacking energy: -39.408
Base-Backbone interact. energy: -0.035
local terms energy: -51.963460
where:
bonds (distance) C4'-P energy: -8.897
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -9.933
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -11.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -78.369203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.369203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.369203 (E_RNA)
where:
Base-Base interactions energy: -34.945
where: short stacking energy: -33.367
Base-Backbone interact. energy: -0.054
local terms energy: -43.370367
where:
bonds (distance) C4'-P energy: -8.770
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -9.234
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: -7.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -80.417228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.417228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.417228 (E_RNA)
where:
Base-Base interactions energy: -35.670
where: short stacking energy: -33.951
Base-Backbone interact. energy: -0.001
local terms energy: -44.746409
where:
bonds (distance) C4'-P energy: -9.199
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -9.266
flat angles P-C4'-P energy: -4.110
tors. eta vs tors. theta energy: -8.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -75.194136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.194136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.194136 (E_RNA)
where:
Base-Base interactions energy: -30.000
where: short stacking energy: -30.000
Base-Backbone interact. energy: -0.000
local terms energy: -45.193555
where:
bonds (distance) C4'-P energy: -11.025
bonds (distance) P-C4' energy: -9.421
flat angles C4'-P-C4' energy: -10.936
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -5.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -69.830700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.830700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.830700 (E_RNA)
where:
Base-Base interactions energy: -26.153
where: short stacking energy: -26.153
Base-Backbone interact. energy: -0.019
local terms energy: -43.658990
where:
bonds (distance) C4'-P energy: -8.963
bonds (distance) P-C4' energy: -10.882
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -3.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -60.976583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.976583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.976583 (E_RNA)
where:
Base-Base interactions energy: -21.432
where: short stacking energy: -21.432
Base-Backbone interact. energy: -0.041
local terms energy: -39.503971
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -6.577
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -0.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -65.218417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.218417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.218417 (E_RNA)
where:
Base-Base interactions energy: -25.802
where: short stacking energy: -25.802
Base-Backbone interact. energy: -0.066
local terms energy: -39.350360
where:
bonds (distance) C4'-P energy: -7.709
bonds (distance) P-C4' energy: -9.830
flat angles C4'-P-C4' energy: -10.344
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -2.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -137.511083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.511083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.511083 (E_RNA)
where:
Base-Base interactions energy: -80.510
where: short stacking energy: -43.042
Base-Backbone interact. energy: -0.017
local terms energy: -56.983319
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -12.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -127.666145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.666145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.666145 (E_RNA)
where:
Base-Base interactions energy: -72.151
where: short stacking energy: -36.972
Base-Backbone interact. energy: -0.050
local terms energy: -55.465957
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -9.460
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -10.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -81.338379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.338379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.338379 (E_RNA)
where:
Base-Base interactions energy: -33.765
where: short stacking energy: -33.765
Base-Backbone interact. energy: -0.152
local terms energy: -47.421303
where:
bonds (distance) C4'-P energy: -12.167
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -10.195
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -4.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -108.305382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.305382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.305382 (E_RNA)
where:
Base-Base interactions energy: -59.646
where: short stacking energy: -44.874
Base-Backbone interact. energy: -0.148
local terms energy: -48.511538
where:
bonds (distance) C4'-P energy: -9.249
bonds (distance) P-C4' energy: -11.612
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -7.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -85.759019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.759019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.759019 (E_RNA)
where:
Base-Base interactions energy: -44.228
where: short stacking energy: -27.351
Base-Backbone interact. energy: -0.014
local terms energy: -41.517490
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -8.288
flat angles P-C4'-P energy: -3.095
tors. eta vs tors. theta energy: -5.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -73.957639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.957639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.957639 (E_RNA)
where:
Base-Base interactions energy: -33.194
where: short stacking energy: -33.194
Base-Backbone interact. energy: -0.219
local terms energy: -40.544129
where:
bonds (distance) C4'-P energy: -10.163
bonds (distance) P-C4' energy: -10.707
flat angles C4'-P-C4' energy: -10.550
flat angles P-C4'-P energy: -5.235
tors. eta vs tors. theta energy: -3.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -79.311510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.311510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.311510 (E_RNA)
where:
Base-Base interactions energy: -33.262
where: short stacking energy: -33.262
Base-Backbone interact. energy: -0.002
local terms energy: -46.046715
where:
bonds (distance) C4'-P energy: -9.383
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -8.771
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -5.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -72.891668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.891668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.891668 (E_RNA)
where:
Base-Base interactions energy: -25.683
where: short stacking energy: -25.683
Base-Backbone interact. energy: -0.015
local terms energy: -47.193517
where:
bonds (distance) C4'-P energy: -12.515
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -9.286
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -7.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -67.242806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.242806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.242806 (E_RNA)
where:
Base-Base interactions energy: -20.308
where: short stacking energy: -20.308
Base-Backbone interact. energy: -0.064
local terms energy: -46.870490
where:
bonds (distance) C4'-P energy: -9.356
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -10.103
flat angles P-C4'-P energy: -5.956
tors. eta vs tors. theta energy: -7.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -69.733890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.733890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.733890 (E_RNA)
where:
Base-Base interactions energy: -24.062
where: short stacking energy: -21.936
Base-Backbone interact. energy: -0.123
local terms energy: -45.549315
where:
bonds (distance) C4'-P energy: -8.972
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -10.364
flat angles P-C4'-P energy: -6.891
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: 1
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -136.017624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.017624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.017624 (E_RNA)
where:
Base-Base interactions energy: -80.045
where: short stacking energy: -46.119
Base-Backbone interact. energy: -0.074
local terms energy: -55.897880
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -5.987
tors. eta vs tors. theta energy: -13.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -114.156653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.156653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.156653 (E_RNA)
where:
Base-Base interactions energy: -62.925
where: short stacking energy: -33.134
Base-Backbone interact. energy: -0.126
local terms energy: -51.105919
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -9.174
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -6.913
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: 3, replica: 4
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -102.426468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.426468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.426468 (E_RNA)
where:
Base-Base interactions energy: -48.234
where: short stacking energy: -48.234
Base-Backbone interact. energy: -0.000
local terms energy: -54.192784
where:
bonds (distance) C4'-P energy: -12.705
bonds (distance) P-C4' energy: -9.904
flat angles C4'-P-C4' energy: -8.831
flat angles P-C4'-P energy: -7.920
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: 4, replica: 7
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -98.190726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.190726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.190726 (E_RNA)
where:
Base-Base interactions energy: -48.083
where: short stacking energy: -41.710
Base-Backbone interact. energy: -0.235
local terms energy: -49.872169
where:
bonds (distance) C4'-P energy: -9.742
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -4.491
tors. eta vs tors. theta energy: -8.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -94.247432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.247432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.247432 (E_RNA)
where:
Base-Base interactions energy: -39.530
where: short stacking energy: -39.530
Base-Backbone interact. energy: -0.196
local terms energy: -54.521389
where:
bonds (distance) C4'-P energy: -9.422
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -6.355
tors. eta vs tors. theta energy: -14.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -82.780361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.780361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.780361 (E_RNA)
where:
Base-Base interactions energy: -42.725
where: short stacking energy: -27.552
Base-Backbone interact. energy: 0.249
local terms energy: -40.304589
where:
bonds (distance) C4'-P energy: -8.065
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -10.908
flat angles P-C4'-P energy: -6.869
tors. eta vs tors. theta energy: -3.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -80.726072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.726072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.726072 (E_RNA)
where:
Base-Base interactions energy: -36.209
where: short stacking energy: -36.209
Base-Backbone interact. energy: -0.029
local terms energy: -44.488798
where:
bonds (distance) C4'-P energy: -6.654
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -9.630
flat angles P-C4'-P energy: -5.965
tors. eta vs tors. theta energy: -10.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -58.073260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.073260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.073260 (E_RNA)
where:
Base-Base interactions energy: -17.900
where: short stacking energy: -17.900
Base-Backbone interact. energy: -0.157
local terms energy: -40.016957
where:
bonds (distance) C4'-P energy: -12.225
bonds (distance) P-C4' energy: -8.665
flat angles C4'-P-C4' energy: -9.710
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -1.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -71.378456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.378456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.378456 (E_RNA)
where:
Base-Base interactions energy: -29.418
where: short stacking energy: -29.418
Base-Backbone interact. energy: -0.003
local terms energy: -41.958071
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -10.479
flat angles C4'-P-C4' energy: -10.710
flat angles P-C4'-P energy: -3.107
tors. eta vs tors. theta energy: -5.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -65.834584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.834584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.834584 (E_RNA)
where:
Base-Base interactions energy: -25.299
where: short stacking energy: -22.896
Base-Backbone interact. energy: -0.119
local terms energy: -40.415922
where:
bonds (distance) C4'-P energy: -6.095
bonds (distance) P-C4' energy: -11.478
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -5.887
tors. eta vs tors. theta energy: -3.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -139.241521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.241521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.241521 (E_RNA)
where:
Base-Base interactions energy: -81.119
where: short stacking energy: -47.408
Base-Backbone interact. energy: -0.092
local terms energy: -58.030329
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -10.025
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -15.655
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: 2
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -120.256624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.256624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.256624 (E_RNA)
where:
Base-Base interactions energy: -73.018
where: short stacking energy: -40.639
Base-Backbone interact. energy: -0.040
local terms energy: -47.198469
where:
bonds (distance) C4'-P energy: -6.124
bonds (distance) P-C4' energy: -9.652
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -8.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -107.954588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.954588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.954588 (E_RNA)
where:
Base-Base interactions energy: -51.462
where: short stacking energy: -51.462
Base-Backbone interact. energy: -0.053
local terms energy: -56.439274
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -10.704
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -9.911
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: 4, replica: 7
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -90.275204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.275204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.275204 (E_RNA)
where:
Base-Base interactions energy: -40.793
where: short stacking energy: -40.793
Base-Backbone interact. energy: -0.064
local terms energy: -49.418205
where:
bonds (distance) C4'-P energy: -8.296
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: -8.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -85.080003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.080003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.080003 (E_RNA)
where:
Base-Base interactions energy: -40.068
where: short stacking energy: -40.068
Base-Backbone interact. energy: -0.001
local terms energy: -45.010526
where:
bonds (distance) C4'-P energy: -9.365
bonds (distance) P-C4' energy: -12.063
flat angles C4'-P-C4' energy: -10.919
flat angles P-C4'-P energy: -3.013
tors. eta vs tors. theta energy: -9.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -108.139031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.139031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.139031 (E_RNA)
where:
Base-Base interactions energy: -49.049
where: short stacking energy: -46.516
Base-Backbone interact. energy: -0.006
local terms energy: -59.084777
where:
bonds (distance) C4'-P energy: -11.496
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -11.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -68.145667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.145667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.145667 (E_RNA)
where:
Base-Base interactions energy: -25.153
where: short stacking energy: -22.863
Base-Backbone interact. energy: -0.144
local terms energy: -42.848852
where:
bonds (distance) C4'-P energy: -9.605
bonds (distance) P-C4' energy: -7.488
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -4.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -83.929994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.929994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.929994 (E_RNA)
where:
Base-Base interactions energy: -39.362
where: short stacking energy: -39.362
Base-Backbone interact. energy: -0.095
local terms energy: -44.473697
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -6.104
flat angles P-C4'-P energy: -6.767
tors. eta vs tors. theta energy: -7.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -56.600935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.600935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.600935 (E_RNA)
where:
Base-Base interactions energy: -19.709
where: short stacking energy: -19.709
Base-Backbone interact. energy: -0.263
local terms energy: -36.628730
where:
bonds (distance) C4'-P energy: -10.644
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -5.111
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -0.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -76.848426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.848426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.848426 (E_RNA)
where:
Base-Base interactions energy: -30.782
where: short stacking energy: -20.365
Base-Backbone interact. energy: -0.059
local terms energy: -46.007935
where:
bonds (distance) C4'-P energy: -10.628
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -3.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -153.267741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.267741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.267741 (E_RNA)
where:
Base-Base interactions energy: -92.285
where: short stacking energy: -55.914
Base-Backbone interact. energy: -0.102
local terms energy: -60.881372
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: -16.214
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: 2
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -114.403695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.403695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.403695 (E_RNA)
where:
Base-Base interactions energy: -63.853
where: short stacking energy: -40.694
Base-Backbone interact. energy: 0.285
local terms energy: -50.835383
where:
bonds (distance) C4'-P energy: -10.326
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -11.069
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -9.548
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: 4
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -108.928015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.928015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.928015 (E_RNA)
where:
Base-Base interactions energy: -48.693
where: short stacking energy: -48.780
Base-Backbone interact. energy: -0.079
local terms energy: -60.155310
where:
bonds (distance) C4'-P energy: -12.010
bonds (distance) P-C4' energy: -11.151
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -8.798
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: 4, replica: 7
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -77.183162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.183162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.183162 (E_RNA)
where:
Base-Base interactions energy: -29.399
where: short stacking energy: -29.399
Base-Backbone interact. energy: -0.029
local terms energy: -47.754874
where:
bonds (distance) C4'-P energy: -10.449
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -9.197
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: 5, replica: 6
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -95.705045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.705045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.705045 (E_RNA)
where:
Base-Base interactions energy: -46.521
where: short stacking energy: -46.521
Base-Backbone interact. energy: -0.000
local terms energy: -49.183955
where:
bonds (distance) C4'-P energy: -7.063
bonds (distance) P-C4' energy: -10.645
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -10.613
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: 6, replica: 10
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -85.399766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.399766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.399766 (E_RNA)
where:
Base-Base interactions energy: -38.268
where: short stacking energy: -31.639
Base-Backbone interact. energy: -0.027
local terms energy: -47.105258
where:
bonds (distance) C4'-P energy: -11.472
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -9.276
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: -5.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -73.224084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.224084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.224084 (E_RNA)
where:
Base-Base interactions energy: -33.316
where: short stacking energy: -28.245
Base-Backbone interact. energy: -0.013
local terms energy: -39.894960
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -9.737
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -5.947
tors. eta vs tors. theta energy: -2.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -71.643049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.643049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.643049 (E_RNA)
where:
Base-Base interactions energy: -26.215
where: short stacking energy: -19.006
Base-Backbone interact. energy: 0.140
local terms energy: -45.568640
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -10.729
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -2.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -60.611663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.611663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.611663 (E_RNA)
where:
Base-Base interactions energy: -26.149
where: short stacking energy: -15.421
Base-Backbone interact. energy: 3.584
local terms energy: -38.046486
where:
bonds (distance) C4'-P energy: -10.991
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -7.878
flat angles P-C4'-P energy: -5.861
tors. eta vs tors. theta energy: -0.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -69.946674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.946674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.946674 (E_RNA)
where:
Base-Base interactions energy: -28.132
where: short stacking energy: -19.926
Base-Backbone interact. energy: 1.890
local terms energy: -43.704771
where:
bonds (distance) C4'-P energy: -9.915
bonds (distance) P-C4' energy: -6.849
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -6.353
tors. eta vs tors. theta energy: -6.501
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: 1
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -143.877156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.877156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.877156 (E_RNA)
where:
Base-Base interactions energy: -85.206
where: short stacking energy: -54.872
Base-Backbone interact. energy: -0.237
local terms energy: -58.433939
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -15.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -94.681308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.681308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.681308 (E_RNA)
where:
Base-Base interactions energy: -40.271
where: short stacking energy: -40.271
Base-Backbone interact. energy: -0.358
local terms energy: -54.052376
where:
bonds (distance) C4'-P energy: -10.164
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -7.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -117.447955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.447955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.447955 (E_RNA)
where:
Base-Base interactions energy: -70.667
where: short stacking energy: -43.349
Base-Backbone interact. energy: -0.075
local terms energy: -46.705990
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -5.701
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: -11.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -79.743469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.743469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.743469 (E_RNA)
where:
Base-Base interactions energy: -31.904
where: short stacking energy: -31.904
Base-Backbone interact. energy: -0.205
local terms energy: -47.634981
where:
bonds (distance) C4'-P energy: -8.537
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -12.518
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -6.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -89.663083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.663083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.663083 (E_RNA)
where:
Base-Base interactions energy: -33.078
where: short stacking energy: -33.078
Base-Backbone interact. energy: -0.095
local terms energy: -56.490610
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -10.655
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -9.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -84.047229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.047229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.047229 (E_RNA)
where:
Base-Base interactions energy: -35.150
where: short stacking energy: -35.150
Base-Backbone interact. energy: 0.415
local terms energy: -49.311978
where:
bonds (distance) C4'-P energy: -8.822
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -6.261
tors. eta vs tors. theta energy: -9.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -69.951668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.951668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.951668 (E_RNA)
where:
Base-Base interactions energy: -30.448
where: short stacking energy: -30.419
Base-Backbone interact. energy: -0.151
local terms energy: -39.353436
where:
bonds (distance) C4'-P energy: -8.294
bonds (distance) P-C4' energy: -8.891
flat angles C4'-P-C4' energy: -10.030
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -5.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -81.042057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.042057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.042057 (E_RNA)
where:
Base-Base interactions energy: -37.562
where: short stacking energy: -35.613
Base-Backbone interact. energy: -0.008
local terms energy: -43.472350
where:
bonds (distance) C4'-P energy: -10.731
bonds (distance) P-C4' energy: -5.986
flat angles C4'-P-C4' energy: -7.782
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -9.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -63.255275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.255275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.255275 (E_RNA)
where:
Base-Base interactions energy: -32.179
where: short stacking energy: -22.005
Base-Backbone interact. energy: 1.323
local terms energy: -32.399208
where:
bonds (distance) C4'-P energy: -4.649
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -6.501
flat angles P-C4'-P energy: -4.513
tors. eta vs tors. theta energy: -3.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -63.640794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.640794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.640794 (E_RNA)
where:
Base-Base interactions energy: -25.608
where: short stacking energy: -25.608
Base-Backbone interact. energy: -0.329
local terms energy: -37.704544
where:
bonds (distance) C4'-P energy: -5.228
bonds (distance) P-C4' energy: -11.312
flat angles C4'-P-C4' energy: -9.757
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -4.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -146.669024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.669024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.669024 (E_RNA)
where:
Base-Base interactions energy: -83.478
where: short stacking energy: -46.953
Base-Backbone interact. energy: -0.020
local terms energy: -63.171628
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -13.019
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -16.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -94.540157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.540157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.540157 (E_RNA)
where:
Base-Base interactions energy: -37.891
where: short stacking energy: -37.891
Base-Backbone interact. energy: -0.074
local terms energy: -56.575152
where:
bonds (distance) C4'-P energy: -9.343
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -11.355
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: 2
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -123.229104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.229104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.229104 (E_RNA)
where:
Base-Base interactions energy: -67.058
where: short stacking energy: -43.154
Base-Backbone interact. energy: -0.039
local terms energy: -56.131374
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -12.797
flat angles C4'-P-C4' energy: -11.484
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -10.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -81.897686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.897686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.897686 (E_RNA)
where:
Base-Base interactions energy: -40.609
where: short stacking energy: -30.050
Base-Backbone interact. energy: -0.231
local terms energy: -41.057001
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -9.584
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -6.813
tors. eta vs tors. theta energy: -2.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -81.500522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.500522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.500522 (E_RNA)
where:
Base-Base interactions energy: -35.349
where: short stacking energy: -25.683
Base-Backbone interact. energy: -0.138
local terms energy: -46.013560
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -10.891
flat angles P-C4'-P energy: -1.640
tors. eta vs tors. theta energy: -6.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -76.887327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.887327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.887327 (E_RNA)
where:
Base-Base interactions energy: -32.726
where: short stacking energy: -32.726
Base-Backbone interact. energy: -0.002
local terms energy: -44.159403
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -11.253
flat angles C4'-P-C4' energy: -8.852
flat angles P-C4'-P energy: -5.813
tors. eta vs tors. theta energy: -6.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -71.489432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.489432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.489432 (E_RNA)
where:
Base-Base interactions energy: -30.132
where: short stacking energy: -30.132
Base-Backbone interact. energy: -0.012
local terms energy: -41.346130
where:
bonds (distance) C4'-P energy: -11.575
bonds (distance) P-C4' energy: -5.199
flat angles C4'-P-C4' energy: -11.593
flat angles P-C4'-P energy: -6.650
tors. eta vs tors. theta energy: -6.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -64.550748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.550748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.550748 (E_RNA)
where:
Base-Base interactions energy: -20.084
where: short stacking energy: -20.084
Base-Backbone interact. energy: -0.037
local terms energy: -44.430026
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -9.682
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -6.071
tors. eta vs tors. theta energy: -3.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -70.150136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.150136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.150136 (E_RNA)
where:
Base-Base interactions energy: -29.325
where: short stacking energy: -24.483
Base-Backbone interact. energy: -0.055
local terms energy: -40.770127
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -9.707
flat angles C4'-P-C4' energy: -8.115
flat angles P-C4'-P energy: -5.751
tors. eta vs tors. theta energy: -6.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -62.486134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.486134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.486134 (E_RNA)
where:
Base-Base interactions energy: -21.025
where: short stacking energy: -21.025
Base-Backbone interact. energy: 0.186
local terms energy: -41.646457
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -8.335
flat angles P-C4'-P energy: -5.400
tors. eta vs tors. theta energy: -1.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -149.212353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.212353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.212353 (E_RNA)
where:
Base-Base interactions energy: -87.036
where: short stacking energy: -51.066
Base-Backbone interact. energy: -0.001
local terms energy: -62.175839
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -16.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -125.293015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.293015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.293015 (E_RNA)
where:
Base-Base interactions energy: -71.381
where: short stacking energy: -46.978
Base-Backbone interact. energy: -0.006
local terms energy: -53.906164
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -6.973
tors. eta vs tors. theta energy: -9.722
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: 4
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -94.034038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.034038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.034038 (E_RNA)
where:
Base-Base interactions energy: -40.918
where: short stacking energy: -40.918
Base-Backbone interact. energy: -0.091
local terms energy: -53.025307
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -7.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -85.640929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.640929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.640929 (E_RNA)
where:
Base-Base interactions energy: -37.945
where: short stacking energy: -34.179
Base-Backbone interact. energy: -0.005
local terms energy: -47.690711
where:
bonds (distance) C4'-P energy: -10.577
bonds (distance) P-C4' energy: -10.893
flat angles C4'-P-C4' energy: -9.145
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -6.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -83.875747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.875747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.875747 (E_RNA)
where:
Base-Base interactions energy: -30.747
where: short stacking energy: -30.590
Base-Backbone interact. energy: -0.044
local terms energy: -53.084601
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -10.738
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -7.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -80.074799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.074799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.074799 (E_RNA)
where:
Base-Base interactions energy: -38.124
where: short stacking energy: -28.044
Base-Backbone interact. energy: -0.012
local terms energy: -41.939110
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -11.014
flat angles C4'-P-C4' energy: -9.387
flat angles P-C4'-P energy: -3.620
tors. eta vs tors. theta energy: -6.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -75.704246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.704246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.704246 (E_RNA)
where:
Base-Base interactions energy: -30.751
where: short stacking energy: -30.751
Base-Backbone interact. energy: 1.216
local terms energy: -46.169277
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -7.149
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -4.094
tors. eta vs tors. theta energy: -9.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -81.549007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.549007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.549007 (E_RNA)
where:
Base-Base interactions energy: -33.569
where: short stacking energy: -32.363
Base-Backbone interact. energy: -0.089
local terms energy: -47.890926
where:
bonds (distance) C4'-P energy: -8.914
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -7.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -73.445277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.445277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.445277 (E_RNA)
where:
Base-Base interactions energy: -30.574
where: short stacking energy: -26.449
Base-Backbone interact. energy: -1.410
local terms energy: -41.461526
where:
bonds (distance) C4'-P energy: -9.977
bonds (distance) P-C4' energy: -9.515
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -3.214
tors. eta vs tors. theta energy: -6.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -65.230604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.230604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.230604 (E_RNA)
where:
Base-Base interactions energy: -24.442
where: short stacking energy: -22.188
Base-Backbone interact. energy: -0.073
local terms energy: -40.715708
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -7.586
flat angles C4'-P-C4' energy: -7.188
flat angles P-C4'-P energy: -8.380
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: 1, replica: 1
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -149.986653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.986653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.986653 (E_RNA)
where:
Base-Base interactions energy: -87.616
where: short stacking energy: -57.554
Base-Backbone interact. energy: -0.036
local terms energy: -62.334741
where:
bonds (distance) C4'-P energy: -10.611
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -10.695
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: 2, replica: 2
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -123.411165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.411165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.411165 (E_RNA)
where:
Base-Base interactions energy: -69.332
where: short stacking energy: -43.876
Base-Backbone interact. energy: -0.122
local terms energy: -53.957323
where:
bonds (distance) C4'-P energy: -8.993
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -10.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -98.318669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.318669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.318669 (E_RNA)
where:
Base-Base interactions energy: -42.541
where: short stacking energy: -42.541
Base-Backbone interact. energy: -0.013
local terms energy: -55.764529
where:
bonds (distance) C4'-P energy: -10.412
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -10.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -91.262757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.262757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.262757 (E_RNA)
where:
Base-Base interactions energy: -42.033
where: short stacking energy: -38.082
Base-Backbone interact. energy: -0.379
local terms energy: -48.850820
where:
bonds (distance) C4'-P energy: -9.543
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -11.188
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: -8.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -86.028792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.028792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.028792 (E_RNA)
where:
Base-Base interactions energy: -27.909
where: short stacking energy: -25.918
Base-Backbone interact. energy: -0.227
local terms energy: -57.892692
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -6.260
tors. eta vs tors. theta energy: -12.320
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: 9
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -78.644155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.644155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.644155 (E_RNA)
where:
Base-Base interactions energy: -36.147
where: short stacking energy: -36.147
Base-Backbone interact. energy: -0.080
local terms energy: -42.417161
where:
bonds (distance) C4'-P energy: -8.918
bonds (distance) P-C4' energy: -8.538
flat angles C4'-P-C4' energy: -8.376
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -6.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -70.133377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.133377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.133377 (E_RNA)
where:
Base-Base interactions energy: -28.642
where: short stacking energy: -26.934
Base-Backbone interact. energy: -0.071
local terms energy: -41.420435
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -5.343
flat angles P-C4'-P energy: -4.385
tors. eta vs tors. theta energy: -7.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -77.263492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.263492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.263492 (E_RNA)
where:
Base-Base interactions energy: -32.941
where: short stacking energy: -32.941
Base-Backbone interact. energy: -0.001
local terms energy: -44.321674
where:
bonds (distance) C4'-P energy: -7.854
bonds (distance) P-C4' energy: -10.805
flat angles C4'-P-C4' energy: -9.811
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -7.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -68.516092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.516092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.516092 (E_RNA)
where:
Base-Base interactions energy: -21.691
where: short stacking energy: -21.691
Base-Backbone interact. energy: -0.075
local terms energy: -46.750750
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -9.491
flat angles P-C4'-P energy: -6.835
tors. eta vs tors. theta energy: -4.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -67.203324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.203324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.203324 (E_RNA)
where:
Base-Base interactions energy: -32.262
where: short stacking energy: -32.262
Base-Backbone interact. energy: -0.005
local terms energy: -34.936979
where:
bonds (distance) C4'-P energy: -5.002
bonds (distance) P-C4' energy: -6.901
flat angles C4'-P-C4' energy: -11.824
flat angles P-C4'-P energy: -5.864
tors. eta vs tors. theta energy: -5.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -138.667067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.667067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.667067 (E_RNA)
where:
Base-Base interactions energy: -83.988
where: short stacking energy: -46.041
Base-Backbone interact. energy: -0.139
local terms energy: -54.540155
where:
bonds (distance) C4'-P energy: -8.358
bonds (distance) P-C4' energy: -13.403
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: -14.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -112.218929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.218929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.218929 (E_RNA)
where:
Base-Base interactions energy: -53.450
where: short stacking energy: -53.450
Base-Backbone interact. energy: -0.000
local terms energy: -58.769212
where:
bonds (distance) C4'-P energy: -5.974
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -10.348
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: 2
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -120.720271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.720271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.720271 (E_RNA)
where:
Base-Base interactions energy: -69.290
where: short stacking energy: -39.608
Base-Backbone interact. energy: -0.089
local terms energy: -51.341670
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -11.805
flat angles P-C4'-P energy: -5.324
tors. eta vs tors. theta energy: -10.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -84.384493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.384493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.384493 (E_RNA)
where:
Base-Base interactions energy: -38.382
where: short stacking energy: -26.916
Base-Backbone interact. energy: -0.012
local terms energy: -45.991254
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -9.023
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -3.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -90.682736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.682736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.682736 (E_RNA)
where:
Base-Base interactions energy: -50.102
where: short stacking energy: -43.772
Base-Backbone interact. energy: -0.175
local terms energy: -40.404848
where:
bonds (distance) C4'-P energy: -7.835
bonds (distance) P-C4' energy: -7.956
flat angles C4'-P-C4' energy: -10.071
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -6.744
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: 437
Temperature: 1.150000
Total energy: -76.893237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.893237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.893237 (E_RNA)
where:
Base-Base interactions energy: -33.730
where: short stacking energy: -33.730
Base-Backbone interact. energy: -0.081
local terms energy: -43.082322
where:
bonds (distance) C4'-P energy: -8.818
bonds (distance) P-C4' energy: -10.911
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -5.537
tors. eta vs tors. theta energy: -5.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -72.325943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.325943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.325943 (E_RNA)
where:
Base-Base interactions energy: -28.135
where: short stacking energy: -26.816
Base-Backbone interact. energy: 0.269
local terms energy: -44.459898
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -10.436
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -5.490
tors. eta vs tors. theta energy: -4.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -78.860954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.860954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.860954 (E_RNA)
where:
Base-Base interactions energy: -36.430
where: short stacking energy: -36.430
Base-Backbone interact. energy: 0.132
local terms energy: -42.563644
where:
bonds (distance) C4'-P energy: -8.284
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -7.713
flat angles P-C4'-P energy: -5.792
tors. eta vs tors. theta energy: -7.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -60.604007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.604007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.604007 (E_RNA)
where:
Base-Base interactions energy: -24.126
where: short stacking energy: -24.126
Base-Backbone interact. energy: 0.201
local terms energy: -36.679671
where:
bonds (distance) C4'-P energy: -8.101
bonds (distance) P-C4' energy: -6.401
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: -1.978
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: 437
Temperature: 1.350000
Total energy: -63.906068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.906068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.906068 (E_RNA)
where:
Base-Base interactions energy: -25.433
where: short stacking energy: -25.433
Base-Backbone interact. energy: -0.242
local terms energy: -38.231025
where:
bonds (distance) C4'-P energy: -6.669
bonds (distance) P-C4' energy: -8.263
flat angles C4'-P-C4' energy: -9.937
flat angles P-C4'-P energy: -6.062
tors. eta vs tors. theta energy: -7.299
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: 1
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -144.804140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.804140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.804140 (E_RNA)
where:
Base-Base interactions energy: -91.250
where: short stacking energy: -57.401
Base-Backbone interact. energy: -0.006
local terms energy: -53.548178
where:
bonds (distance) C4'-P energy: -11.397
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -11.038
flat angles P-C4'-P energy: -5.418
tors. eta vs tors. theta energy: -13.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -114.168829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.168829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.168829 (E_RNA)
where:
Base-Base interactions energy: -54.968
where: short stacking energy: -54.704
Base-Backbone interact. energy: -0.007
local terms energy: -59.194024
where:
bonds (distance) C4'-P energy: -9.601
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -8.101
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: 3, replica: 2
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -130.528989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.528989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.528989 (E_RNA)
where:
Base-Base interactions energy: -70.434
where: short stacking energy: -43.201
Base-Backbone interact. energy: -0.040
local terms energy: -60.055256
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -9.518
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: 4, replica: 8
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -90.961965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.961965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.961965 (E_RNA)
where:
Base-Base interactions energy: -40.830
where: short stacking energy: -35.375
Base-Backbone interact. energy: -0.209
local terms energy: -49.922178
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -7.503
flat angles P-C4'-P energy: -5.949
tors. eta vs tors. theta energy: -11.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -109.196489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.196489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.196489 (E_RNA)
where:
Base-Base interactions energy: -60.403
where: short stacking energy: -36.256
Base-Backbone interact. energy: -0.040
local terms energy: -48.754336
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -9.240
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -7.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -79.813910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.813910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.813910 (E_RNA)
where:
Base-Base interactions energy: -36.538
where: short stacking energy: -36.538
Base-Backbone interact. energy: -0.064
local terms energy: -43.212153
where:
bonds (distance) C4'-P energy: -4.608
bonds (distance) P-C4' energy: -11.930
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -3.495
tors. eta vs tors. theta energy: -10.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -78.754480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.754480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.754480 (E_RNA)
where:
Base-Base interactions energy: -31.724
where: short stacking energy: -31.724
Base-Backbone interact. energy: -0.060
local terms energy: -46.970928
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -5.825
tors. eta vs tors. theta energy: -5.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -67.468921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.468921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.468921 (E_RNA)
where:
Base-Base interactions energy: -25.544
where: short stacking energy: -25.544
Base-Backbone interact. energy: -0.095
local terms energy: -41.830059
where:
bonds (distance) C4'-P energy: -5.653
bonds (distance) P-C4' energy: -9.854
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -9.701
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: 438
Temperature: 1.300000
Total energy: -71.073313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.073313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.073313 (E_RNA)
where:
Base-Base interactions energy: -31.794
where: short stacking energy: -31.794
Base-Backbone interact. energy: -0.000
local terms energy: -39.278777
where:
bonds (distance) C4'-P energy: -10.139
bonds (distance) P-C4' energy: -10.443
flat angles C4'-P-C4' energy: -11.979
flat angles P-C4'-P energy: -0.659
tors. eta vs tors. theta energy: -6.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -64.774483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.774483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.774483 (E_RNA)
where:
Base-Base interactions energy: -25.992
where: short stacking energy: -25.992
Base-Backbone interact. energy: -0.029
local terms energy: -38.753163
where:
bonds (distance) C4'-P energy: -5.730
bonds (distance) P-C4' energy: -10.191
flat angles C4'-P-C4' energy: -11.969
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -3.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -140.324543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.324543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.324543 (E_RNA)
where:
Base-Base interactions energy: -80.552
where: short stacking energy: -48.514
Base-Backbone interact. energy: -0.279
local terms energy: -59.494091
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -12.249
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -5.909
tors. eta vs tors. theta energy: -14.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -134.097043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.097043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.097043 (E_RNA)
where:
Base-Base interactions energy: -74.969
where: short stacking energy: -47.853
Base-Backbone interact. energy: -0.061
local terms energy: -59.066500
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -13.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -107.113120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.113120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.113120 (E_RNA)
where:
Base-Base interactions energy: -54.280
where: short stacking energy: -54.280
Base-Backbone interact. energy: -0.003
local terms energy: -52.830549
where:
bonds (distance) C4'-P energy: -7.845
bonds (distance) P-C4' energy: -7.745
flat angles C4'-P-C4' energy: -10.135
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -18.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -99.403924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.403924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.403924 (E_RNA)
where:
Base-Base interactions energy: -52.693
where: short stacking energy: -42.874
Base-Backbone interact. energy: -0.096
local terms energy: -46.615201
where:
bonds (distance) C4'-P energy: -9.157
bonds (distance) P-C4' energy: -7.890
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -6.202
tors. eta vs tors. theta energy: -10.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -93.530936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.530936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.530936 (E_RNA)
where:
Base-Base interactions energy: -48.426
where: short stacking energy: -43.846
Base-Backbone interact. energy: -0.049
local terms energy: -45.055949
where:
bonds (distance) C4'-P energy: -9.273
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -8.412
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -7.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -83.020495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.020495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.020495 (E_RNA)
where:
Base-Base interactions energy: -32.002
where: short stacking energy: -32.002
Base-Backbone interact. energy: -0.039
local terms energy: -50.979841
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -5.981
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: 5
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -61.992215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.992215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.992215 (E_RNA)
where:
Base-Base interactions energy: -19.747
where: short stacking energy: -19.747
Base-Backbone interact. energy: -0.035
local terms energy: -42.209919
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -9.931
flat angles C4'-P-C4' energy: -8.725
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -3.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -58.998381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.998381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.998381 (E_RNA)
where:
Base-Base interactions energy: -24.383
where: short stacking energy: -20.906
Base-Backbone interact. energy: -0.080
local terms energy: -34.535594
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -7.526
flat angles C4'-P-C4' energy: -11.618
flat angles P-C4'-P energy: -4.606
tors. eta vs tors. theta energy: 1.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -68.556707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.556707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.556707 (E_RNA)
where:
Base-Base interactions energy: -25.034
where: short stacking energy: -24.256
Base-Backbone interact. energy: 0.496
local terms energy: -44.018579
where:
bonds (distance) C4'-P energy: -9.907
bonds (distance) P-C4' energy: -10.626
flat angles C4'-P-C4' energy: -8.501
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -8.527
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: 10, replica: 10
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -57.033858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.033858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.033858 (E_RNA)
where:
Base-Base interactions energy: -20.340
where: short stacking energy: -19.824
Base-Backbone interact. energy: -0.290
local terms energy: -36.404144
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -0.484
tors. eta vs tors. theta energy: -1.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -143.661421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.661421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.661421 (E_RNA)
where:
Base-Base interactions energy: -79.401
where: short stacking energy: -49.222
Base-Backbone interact. energy: -0.255
local terms energy: -64.004937
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -14.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -140.469210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.469210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.469210 (E_RNA)
where:
Base-Base interactions energy: -82.463
where: short stacking energy: -51.429
Base-Backbone interact. energy: -0.004
local terms energy: -58.002492
where:
bonds (distance) C4'-P energy: -10.727
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -11.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -95.439528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.439528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.439528 (E_RNA)
where:
Base-Base interactions energy: -44.038
where: short stacking energy: -44.038
Base-Backbone interact. energy: -0.001
local terms energy: -51.400500
where:
bonds (distance) C4'-P energy: -9.319
bonds (distance) P-C4' energy: -13.368
flat angles C4'-P-C4' energy: -9.828
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -9.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -100.101244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.101244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.101244 (E_RNA)
where:
Base-Base interactions energy: -44.689
where: short stacking energy: -39.683
Base-Backbone interact. energy: -0.015
local terms energy: -55.397243
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -7.146
tors. eta vs tors. theta energy: -10.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -80.672171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.672171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.672171 (E_RNA)
where:
Base-Base interactions energy: -30.653
where: short stacking energy: -30.174
Base-Backbone interact. energy: -0.014
local terms energy: -50.004950
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -6.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -73.358167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.358167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.358167 (E_RNA)
where:
Base-Base interactions energy: -27.615
where: short stacking energy: -27.615
Base-Backbone interact. energy: -0.079
local terms energy: -45.664650
where:
bonds (distance) C4'-P energy: -8.479
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -5.016
tors. eta vs tors. theta energy: -4.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -79.111936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.111936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.111936 (E_RNA)
where:
Base-Base interactions energy: -34.868
where: short stacking energy: -28.467
Base-Backbone interact. energy: 0.922
local terms energy: -45.166515
where:
bonds (distance) C4'-P energy: -9.177
bonds (distance) P-C4' energy: -10.691
flat angles C4'-P-C4' energy: -9.603
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: -7.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -80.548338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.548338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.548338 (E_RNA)
where:
Base-Base interactions energy: -31.680
where: short stacking energy: -29.060
Base-Backbone interact. energy: -0.163
local terms energy: -48.705954
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -9.745
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -4.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -72.927770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.927770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.927770 (E_RNA)
where:
Base-Base interactions energy: -27.537
where: short stacking energy: -26.076
Base-Backbone interact. energy: -0.460
local terms energy: -44.930932
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -10.918
flat angles C4'-P-C4' energy: -10.322
flat angles P-C4'-P energy: -6.430
tors. eta vs tors. theta energy: -5.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -60.993796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.993796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.993796 (E_RNA)
where:
Base-Base interactions energy: -22.569
where: short stacking energy: -22.569
Base-Backbone interact. energy: -0.122
local terms energy: -38.302524
where:
bonds (distance) C4'-P energy: -8.197
bonds (distance) P-C4' energy: -9.808
flat angles C4'-P-C4' energy: -9.416
flat angles P-C4'-P energy: -7.320
tors. eta vs tors. theta energy: -3.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -136.776094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.776094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.776094 (E_RNA)
where:
Base-Base interactions energy: -80.289
where: short stacking energy: -47.974
Base-Backbone interact. energy: -0.160
local terms energy: -56.327211
where:
bonds (distance) C4'-P energy: -7.124
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -11.875
flat angles P-C4'-P energy: -8.233
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: 2, replica: 1
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -125.581208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.581208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.581208 (E_RNA)
where:
Base-Base interactions energy: -70.154
where: short stacking energy: -44.562
Base-Backbone interact. energy: -0.084
local terms energy: -55.343305
where:
bonds (distance) C4'-P energy: -10.219
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: -10.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -93.062338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.062338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.062338 (E_RNA)
where:
Base-Base interactions energy: -37.961
where: short stacking energy: -37.961
Base-Backbone interact. energy: -0.007
local terms energy: -55.094375
where:
bonds (distance) C4'-P energy: -10.698
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -10.515
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -10.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -94.375995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.375995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.375995 (E_RNA)
where:
Base-Base interactions energy: -57.792
where: short stacking energy: -32.349
Base-Backbone interact. energy: -0.045
local terms energy: -36.538591
where:
bonds (distance) C4'-P energy: -6.843
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -9.477
flat angles P-C4'-P energy: -5.568
tors. eta vs tors. theta energy: -7.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -74.490486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.490486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.490486 (E_RNA)
where:
Base-Base interactions energy: -35.316
where: short stacking energy: -35.316
Base-Backbone interact. energy: -0.018
local terms energy: -39.156251
where:
bonds (distance) C4'-P energy: -9.340
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -6.909
flat angles P-C4'-P energy: -1.598
tors. eta vs tors. theta energy: -7.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -94.852338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.852338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.852338 (E_RNA)
where:
Base-Base interactions energy: -51.137
where: short stacking energy: -36.848
Base-Backbone interact. energy: -0.069
local terms energy: -43.645499
where:
bonds (distance) C4'-P energy: -9.840
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -10.155
flat angles P-C4'-P energy: -3.848
tors. eta vs tors. theta energy: -7.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -70.262569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.262569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.262569 (E_RNA)
where:
Base-Base interactions energy: -28.697
where: short stacking energy: -28.697
Base-Backbone interact. energy: -0.019
local terms energy: -41.546432
where:
bonds (distance) C4'-P energy: -8.525
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -10.167
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: -3.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -71.933972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.933972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.933972 (E_RNA)
where:
Base-Base interactions energy: -27.869
where: short stacking energy: -27.869
Base-Backbone interact. energy: -0.001
local terms energy: -44.063972
where:
bonds (distance) C4'-P energy: -5.900
bonds (distance) P-C4' energy: -11.231
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -7.141
tors. eta vs tors. theta energy: -8.545
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: 5
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -72.548773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.548773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.548773 (E_RNA)
where:
Base-Base interactions energy: -30.987
where: short stacking energy: -30.987
Base-Backbone interact. energy: 0.447
local terms energy: -42.009206
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -9.988
flat angles C4'-P-C4' energy: -10.613
flat angles P-C4'-P energy: -4.307
tors. eta vs tors. theta energy: -4.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -67.319216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.319216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.319216 (E_RNA)
where:
Base-Base interactions energy: -29.000
where: short stacking energy: -29.000
Base-Backbone interact. energy: -0.011
local terms energy: -38.308885
where:
bonds (distance) C4'-P energy: -10.918
bonds (distance) P-C4' energy: -9.405
flat angles C4'-P-C4' energy: -9.384
flat angles P-C4'-P energy: -5.376
tors. eta vs tors. theta energy: -3.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -148.447209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.447209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.447209 (E_RNA)
where:
Base-Base interactions energy: -88.551
where: short stacking energy: -52.045
Base-Backbone interact. energy: -0.010
local terms energy: -59.886432
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -6.333
tors. eta vs tors. theta energy: -15.454
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: 2
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -135.650147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.650147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.650147 (E_RNA)
where:
Base-Base interactions energy: -80.945
where: short stacking energy: -53.502
Base-Backbone interact. energy: -0.385
local terms energy: -54.320024
where:
bonds (distance) C4'-P energy: -9.328
bonds (distance) P-C4' energy: -9.300
flat angles C4'-P-C4' energy: -10.876
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -15.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -107.776351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.776351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.776351 (E_RNA)
where:
Base-Base interactions energy: -55.329
where: short stacking energy: -40.248
Base-Backbone interact. energy: -0.114
local terms energy: -52.333000
where:
bonds (distance) C4'-P energy: -10.627
bonds (distance) P-C4' energy: -12.924
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -7.381
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: 4, replica: 6
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -75.983484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.983484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.983484 (E_RNA)
where:
Base-Base interactions energy: -31.077
where: short stacking energy: -31.077
Base-Backbone interact. energy: -0.025
local terms energy: -44.880763
where:
bonds (distance) C4'-P energy: -10.305
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -10.281
flat angles P-C4'-P energy: -6.417
tors. eta vs tors. theta energy: -5.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -80.648165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.648165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.648165 (E_RNA)
where:
Base-Base interactions energy: -33.614
where: short stacking energy: -30.597
Base-Backbone interact. energy: -0.183
local terms energy: -46.851038
where:
bonds (distance) C4'-P energy: -6.586
bonds (distance) P-C4' energy: -10.658
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -7.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -63.846991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.846991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.846991 (E_RNA)
where:
Base-Base interactions energy: -17.550
where: short stacking energy: -17.550
Base-Backbone interact. energy: -0.111
local terms energy: -46.185917
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -11.973
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -1.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -78.870247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.870247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.870247 (E_RNA)
where:
Base-Base interactions energy: -30.152
where: short stacking energy: -27.472
Base-Backbone interact. energy: -0.096
local terms energy: -48.621875
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -6.504
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -9.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -62.020882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.020882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.020882 (E_RNA)
where:
Base-Base interactions energy: -24.450
where: short stacking energy: -24.450
Base-Backbone interact. energy: 1.623
local terms energy: -39.193362
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -10.378
flat angles C4'-P-C4' energy: -9.553
flat angles P-C4'-P energy: -4.471
tors. eta vs tors. theta energy: -4.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -58.154059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.154059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.154059 (E_RNA)
where:
Base-Base interactions energy: -21.054
where: short stacking energy: -20.990
Base-Backbone interact. energy: -0.456
local terms energy: -36.644964
where:
bonds (distance) C4'-P energy: -6.418
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -7.928
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -1.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -67.158947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.158947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.158947 (E_RNA)
where:
Base-Base interactions energy: -29.857
where: short stacking energy: -29.857
Base-Backbone interact. energy: -0.078
local terms energy: -37.223813
where:
bonds (distance) C4'-P energy: -9.497
bonds (distance) P-C4' energy: -9.132
flat angles C4'-P-C4' energy: -9.014
flat angles P-C4'-P energy: -6.330
tors. eta vs tors. theta energy: -3.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -146.195780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.195780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.195780 (E_RNA)
where:
Base-Base interactions energy: -88.490
where: short stacking energy: -56.410
Base-Backbone interact. energy: -0.030
local terms energy: -57.675909
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -9.189
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: 2, replica: 2
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -142.371951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.371951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.371951 (E_RNA)
where:
Base-Base interactions energy: -83.892
where: short stacking energy: -52.276
Base-Backbone interact. energy: -0.003
local terms energy: -58.477285
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -10.210
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -13.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -90.731439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.731439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.731439 (E_RNA)
where:
Base-Base interactions energy: -39.526
where: short stacking energy: -39.526
Base-Backbone interact. energy: -0.004
local terms energy: -51.200948
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -9.569
flat angles C4'-P-C4' energy: -10.296
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -9.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -90.726753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.726753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.726753 (E_RNA)
where:
Base-Base interactions energy: -36.440
where: short stacking energy: -36.440
Base-Backbone interact. energy: -0.555
local terms energy: -53.732156
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -7.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -101.498171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.498171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.498171 (E_RNA)
where:
Base-Base interactions energy: -52.859
where: short stacking energy: -37.133
Base-Backbone interact. energy: -0.179
local terms energy: -48.460589
where:
bonds (distance) C4'-P energy: -11.464
bonds (distance) P-C4' energy: -7.960
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -4.956
tors. eta vs tors. theta energy: -10.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -73.825780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.825780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.825780 (E_RNA)
where:
Base-Base interactions energy: -28.836
where: short stacking energy: -23.671
Base-Backbone interact. energy: -0.004
local terms energy: -44.986570
where:
bonds (distance) C4'-P energy: -9.129
bonds (distance) P-C4' energy: -12.831
flat angles C4'-P-C4' energy: -9.354
flat angles P-C4'-P energy: -6.740
tors. eta vs tors. theta energy: -6.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -74.326224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.326224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.326224 (E_RNA)
where:
Base-Base interactions energy: -30.467
where: short stacking energy: -30.467
Base-Backbone interact. energy: -0.049
local terms energy: -43.809824
where:
bonds (distance) C4'-P energy: -9.419
bonds (distance) P-C4' energy: -10.296
flat angles C4'-P-C4' energy: -10.341
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -5.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -79.904037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.904037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.904037 (E_RNA)
where:
Base-Base interactions energy: -36.751
where: short stacking energy: -23.750
Base-Backbone interact. energy: -0.128
local terms energy: -43.025039
where:
bonds (distance) C4'-P energy: -12.933
bonds (distance) P-C4' energy: -8.418
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -4.025
tors. eta vs tors. theta energy: -6.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -63.502882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.502882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.502882 (E_RNA)
where:
Base-Base interactions energy: -22.101
where: short stacking energy: -21.130
Base-Backbone interact. energy: -0.001
local terms energy: -41.400581
where:
bonds (distance) C4'-P energy: -10.806
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -10.699
flat angles P-C4'-P energy: -6.056
tors. eta vs tors. theta energy: -1.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -66.004444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.004444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.004444 (E_RNA)
where:
Base-Base interactions energy: -23.680
where: short stacking energy: -23.680
Base-Backbone interact. energy: -0.158
local terms energy: -42.166484
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -9.237
flat angles C4'-P-C4' energy: -10.314
flat angles P-C4'-P energy: -6.555
tors. eta vs tors. theta energy: -3.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -133.234144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.234144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.234144 (E_RNA)
where:
Base-Base interactions energy: -87.344
where: short stacking energy: -50.595
Base-Backbone interact. energy: -0.117
local terms energy: -45.773160
where:
bonds (distance) C4'-P energy: -8.790
bonds (distance) P-C4' energy: -8.970
flat angles C4'-P-C4' energy: -7.546
flat angles P-C4'-P energy: -6.713
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: 2, replica: 1
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -139.752331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.752331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.752331 (E_RNA)
where:
Base-Base interactions energy: -81.931
where: short stacking energy: -47.851
Base-Backbone interact. energy: -0.102
local terms energy: -57.719062
where:
bonds (distance) C4'-P energy: -10.333
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -13.958
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: 3, replica: 6
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -94.807199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.807199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.807199 (E_RNA)
where:
Base-Base interactions energy: -46.633
where: short stacking energy: -46.633
Base-Backbone interact. energy: -0.151
local terms energy: -48.023568
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -7.929
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -8.370
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: 4, replica: 3
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -98.299335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.299335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.299335 (E_RNA)
where:
Base-Base interactions energy: -39.400
where: short stacking energy: -39.400
Base-Backbone interact. energy: -0.077
local terms energy: -58.822797
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -10.009
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -8.008
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: 5, replica: 7
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -97.140140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.140140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.140140 (E_RNA)
where:
Base-Base interactions energy: -52.051
where: short stacking energy: -32.865
Base-Backbone interact. energy: 0.390
local terms energy: -45.479316
where:
bonds (distance) C4'-P energy: -10.127
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -10.236
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -3.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -105.769465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.769465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.769465 (E_RNA)
where:
Base-Base interactions energy: -61.553
where: short stacking energy: -40.805
Base-Backbone interact. energy: -0.028
local terms energy: -44.188706
where:
bonds (distance) C4'-P energy: -8.883
bonds (distance) P-C4' energy: -8.570
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -7.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -66.673376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.673376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.673376 (E_RNA)
where:
Base-Base interactions energy: -26.089
where: short stacking energy: -21.421
Base-Backbone interact. energy: -0.898
local terms energy: -39.686472
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -10.888
flat angles C4'-P-C4' energy: -7.627
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -2.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -69.526911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.526911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.526911 (E_RNA)
where:
Base-Base interactions energy: -21.829
where: short stacking energy: -21.798
Base-Backbone interact. energy: -0.003
local terms energy: -47.694299
where:
bonds (distance) C4'-P energy: -10.598
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -8.270
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -4.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -65.670466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.670466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.670466 (E_RNA)
where:
Base-Base interactions energy: -27.050
where: short stacking energy: -17.768
Base-Backbone interact. energy: -0.161
local terms energy: -38.459219
where:
bonds (distance) C4'-P energy: -11.384
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -7.736
flat angles P-C4'-P energy: -5.985
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: 10, replica: 8
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -59.732274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.732274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.732274 (E_RNA)
where:
Base-Base interactions energy: -18.588
where: short stacking energy: -18.588
Base-Backbone interact. energy: -0.048
local terms energy: -41.096251
where:
bonds (distance) C4'-P energy: -7.253
bonds (distance) P-C4' energy: -11.681
flat angles C4'-P-C4' energy: -10.263
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -2.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -145.321171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.321171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.321171 (E_RNA)
where:
Base-Base interactions energy: -87.343
where: short stacking energy: -49.822
Base-Backbone interact. energy: -0.025
local terms energy: -57.953214
where:
bonds (distance) C4'-P energy: -11.298
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -13.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -112.656607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.656607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.656607 (E_RNA)
where:
Base-Base interactions energy: -64.351
where: short stacking energy: -35.636
Base-Backbone interact. energy: -0.151
local terms energy: -48.154660
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -9.491
flat angles P-C4'-P energy: -8.679
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: 3, replica: 6
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -98.439205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.439205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.439205 (E_RNA)
where:
Base-Base interactions energy: -47.873
where: short stacking energy: -44.334
Base-Backbone interact. energy: -0.153
local terms energy: -50.413007
where:
bonds (distance) C4'-P energy: -8.645
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -11.527
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -8.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -104.258706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.258706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.258706 (E_RNA)
where:
Base-Base interactions energy: -59.930
where: short stacking energy: -40.789
Base-Backbone interact. energy: -0.057
local terms energy: -44.272036
where:
bonds (distance) C4'-P energy: -7.365
bonds (distance) P-C4' energy: -11.730
flat angles C4'-P-C4' energy: -10.316
flat angles P-C4'-P energy: -5.512
tors. eta vs tors. theta energy: -9.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -86.305359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.305359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.305359 (E_RNA)
where:
Base-Base interactions energy: -41.252
where: short stacking energy: -41.252
Base-Backbone interact. energy: 0.867
local terms energy: -45.920675
where:
bonds (distance) C4'-P energy: -6.656
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -10.518
flat angles P-C4'-P energy: -6.402
tors. eta vs tors. theta energy: -9.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -79.063566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.063566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.063566 (E_RNA)
where:
Base-Base interactions energy: -35.135
where: short stacking energy: -35.135
Base-Backbone interact. energy: -0.077
local terms energy: -43.851282
where:
bonds (distance) C4'-P energy: -10.358
bonds (distance) P-C4' energy: -10.253
flat angles C4'-P-C4' energy: -11.882
flat angles P-C4'-P energy: -6.462
tors. eta vs tors. theta energy: -4.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -72.156397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.156397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.156397 (E_RNA)
where:
Base-Base interactions energy: -26.949
where: short stacking energy: -26.949
Base-Backbone interact. energy: -0.165
local terms energy: -45.042934
where:
bonds (distance) C4'-P energy: -9.981
bonds (distance) P-C4' energy: -11.848
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -6.085
tors. eta vs tors. theta energy: -4.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -71.901372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.901372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.901372 (E_RNA)
where:
Base-Base interactions energy: -30.888
where: short stacking energy: -30.888
Base-Backbone interact. energy: 0.822
local terms energy: -41.835401
where:
bonds (distance) C4'-P energy: -9.285
bonds (distance) P-C4' energy: -6.089
flat angles C4'-P-C4' energy: -10.423
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -6.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -71.871447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.871447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.871447 (E_RNA)
where:
Base-Base interactions energy: -30.102
where: short stacking energy: -30.102
Base-Backbone interact. energy: -0.090
local terms energy: -41.678891
where:
bonds (distance) C4'-P energy: -8.264
bonds (distance) P-C4' energy: -11.458
flat angles C4'-P-C4' energy: -10.495
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -4.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -63.578045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.578045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.578045 (E_RNA)
where:
Base-Base interactions energy: -20.677
where: short stacking energy: -20.677
Base-Backbone interact. energy: -0.018
local terms energy: -42.882876
where:
bonds (distance) C4'-P energy: -4.811
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -7.110
tors. eta vs tors. theta energy: -6.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -148.626849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.626849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.626849 (E_RNA)
where:
Base-Base interactions energy: -91.815
where: short stacking energy: -54.183
Base-Backbone interact. energy: -0.004
local terms energy: -56.807309
where:
bonds (distance) C4'-P energy: -9.621
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -13.609
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: 1
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -117.225534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.225534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.225534 (E_RNA)
where:
Base-Base interactions energy: -64.520
where: short stacking energy: -47.147
Base-Backbone interact. energy: -0.161
local terms energy: -52.544713
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -8.977
flat angles C4'-P-C4' energy: -11.258
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -11.795
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: 7
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -129.635026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.635026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.635026 (E_RNA)
where:
Base-Base interactions energy: -77.521
where: short stacking energy: -49.053
Base-Backbone interact. energy: -0.001
local terms energy: -52.112701
where:
bonds (distance) C4'-P energy: -6.184
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -10.627
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -11.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -81.532934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.532934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.532934 (E_RNA)
where:
Base-Base interactions energy: -36.465
where: short stacking energy: -36.465
Base-Backbone interact. energy: -0.012
local terms energy: -45.055852
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -3.931
tors. eta vs tors. theta energy: -5.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -84.988896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.988896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.988896 (E_RNA)
where:
Base-Base interactions energy: -37.979
where: short stacking energy: -37.979
Base-Backbone interact. energy: -0.210
local terms energy: -46.800024
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -5.436
tors. eta vs tors. theta energy: -4.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -78.201663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.201663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.201663 (E_RNA)
where:
Base-Base interactions energy: -31.963
where: short stacking energy: -31.963
Base-Backbone interact. energy: -0.008
local terms energy: -46.230118
where:
bonds (distance) C4'-P energy: -10.367
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -2.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -89.260297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.260297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.260297 (E_RNA)
where:
Base-Base interactions energy: -36.096
where: short stacking energy: -35.936
Base-Backbone interact. energy: -0.001
local terms energy: -53.163529
where:
bonds (distance) C4'-P energy: -8.723
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -9.816
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: 8, replica: 5
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -66.747240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.747240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.747240 (E_RNA)
where:
Base-Base interactions energy: -32.870
where: short stacking energy: -32.870
Base-Backbone interact. energy: 0.522
local terms energy: -34.399745
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -7.458
flat angles C4'-P-C4' energy: -7.970
flat angles P-C4'-P energy: -4.945
tors. eta vs tors. theta energy: -2.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -63.973256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.973256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.973256 (E_RNA)
where:
Base-Base interactions energy: -21.401
where: short stacking energy: -21.401
Base-Backbone interact. energy: -0.060
local terms energy: -42.511335
where:
bonds (distance) C4'-P energy: -9.815
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -8.664
flat angles P-C4'-P energy: -7.068
tors. eta vs tors. theta energy: -4.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -68.877203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.877203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.877203 (E_RNA)
where:
Base-Base interactions energy: -25.695
where: short stacking energy: -25.695
Base-Backbone interact. energy: -0.001
local terms energy: -43.181545
where:
bonds (distance) C4'-P energy: -6.387
bonds (distance) P-C4' energy: -10.640
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -6.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -128.611844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.611844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.611844 (E_RNA)
where:
Base-Base interactions energy: -72.544
where: short stacking energy: -41.385
Base-Backbone interact. energy: -0.183
local terms energy: -55.885071
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -12.601
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -10.489
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: 7
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -127.200447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.200447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.200447 (E_RNA)
where:
Base-Base interactions energy: -72.938
where: short stacking energy: -48.831
Base-Backbone interact. energy: -0.002
local terms energy: -54.260192
where:
bonds (distance) C4'-P energy: -9.613
bonds (distance) P-C4' energy: -8.634
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -11.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -109.830664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.830664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.830664 (E_RNA)
where:
Base-Base interactions energy: -57.706
where: short stacking energy: -27.834
Base-Backbone interact. energy: -0.098
local terms energy: -52.025971
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -7.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -84.923079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.923079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.923079 (E_RNA)
where:
Base-Base interactions energy: -35.703
where: short stacking energy: -31.953
Base-Backbone interact. energy: -0.030
local terms energy: -49.189826
where:
bonds (distance) C4'-P energy: -9.679
bonds (distance) P-C4' energy: -8.307
flat angles C4'-P-C4' energy: -9.851
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -10.117
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: 6
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -84.709787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.709787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.709787 (E_RNA)
where:
Base-Base interactions energy: -32.549
where: short stacking energy: -31.697
Base-Backbone interact. energy: -0.261
local terms energy: -51.899939
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -10.236
flat angles C4'-P-C4' energy: -9.655
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -9.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -76.962374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.962374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.962374 (E_RNA)
where:
Base-Base interactions energy: -33.592
where: short stacking energy: -33.592
Base-Backbone interact. energy: -0.010
local terms energy: -43.359972
where:
bonds (distance) C4'-P energy: -10.784
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -7.535
flat angles P-C4'-P energy: -6.542
tors. eta vs tors. theta energy: -6.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -79.655626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.655626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.655626 (E_RNA)
where:
Base-Base interactions energy: -33.147
where: short stacking energy: -28.506
Base-Backbone interact. energy: -0.328
local terms energy: -46.181416
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -9.844
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -4.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -76.649372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.649372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.649372 (E_RNA)
where:
Base-Base interactions energy: -31.749
where: short stacking energy: -29.687
Base-Backbone interact. energy: -0.023
local terms energy: -44.877173
where:
bonds (distance) C4'-P energy: -9.281
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -7.771
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -8.636
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: 5
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -59.545469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.545469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.545469 (E_RNA)
where:
Base-Base interactions energy: -18.737
where: short stacking energy: -18.737
Base-Backbone interact. energy: -0.027
local terms energy: -40.781392
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -10.213
flat angles C4'-P-C4' energy: -9.976
flat angles P-C4'-P energy: -5.313
tors. eta vs tors. theta energy: -3.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -63.448377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.448377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.448377 (E_RNA)
where:
Base-Base interactions energy: -23.980
where: short stacking energy: -23.980
Base-Backbone interact. energy: -0.031
local terms energy: -39.437695
where:
bonds (distance) C4'-P energy: -10.325
bonds (distance) P-C4' energy: -10.834
flat angles C4'-P-C4' energy: -9.500
flat angles P-C4'-P energy: -6.600
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: 1, replica: 7
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -137.535204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.535204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.535204 (E_RNA)
where:
Base-Base interactions energy: -76.124
where: short stacking energy: -42.322
Base-Backbone interact. energy: -0.655
local terms energy: -60.755441
where:
bonds (distance) C4'-P energy: -11.410
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -13.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -119.707437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.707437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.707437 (E_RNA)
where:
Base-Base interactions energy: -66.865
where: short stacking energy: -33.199
Base-Backbone interact. energy: -0.232
local terms energy: -52.610109
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -10.817
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: 1
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -123.297288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.297288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.297288 (E_RNA)
where:
Base-Base interactions energy: -70.724
where: short stacking energy: -43.477
Base-Backbone interact. energy: -0.035
local terms energy: -52.538437
where:
bonds (distance) C4'-P energy: -9.804
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -12.525
flat angles P-C4'-P energy: -6.642
tors. eta vs tors. theta energy: -9.838
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: 9
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -86.518539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.518539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.518539 (E_RNA)
where:
Base-Base interactions energy: -38.537
where: short stacking energy: -34.374
Base-Backbone interact. energy: -0.046
local terms energy: -47.934835
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -11.638
flat angles C4'-P-C4' energy: -10.220
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -5.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -81.879137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.879137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.879137 (E_RNA)
where:
Base-Base interactions energy: -36.469
where: short stacking energy: -36.469
Base-Backbone interact. energy: -0.050
local terms energy: -45.359878
where:
bonds (distance) C4'-P energy: -9.231
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -7.516
flat angles P-C4'-P energy: -4.516
tors. eta vs tors. theta energy: -10.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -76.985348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.985348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.985348 (E_RNA)
where:
Base-Base interactions energy: -30.755
where: short stacking energy: -30.755
Base-Backbone interact. energy: -0.031
local terms energy: -46.199745
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -9.473
flat angles C4'-P-C4' energy: -10.804
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -5.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -78.407132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.407132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.407132 (E_RNA)
where:
Base-Base interactions energy: -37.738
where: short stacking energy: -37.738
Base-Backbone interact. energy: -0.088
local terms energy: -40.580960
where:
bonds (distance) C4'-P energy: -6.517
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -1.651
tors. eta vs tors. theta energy: -6.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -65.214802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.214802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.214802 (E_RNA)
where:
Base-Base interactions energy: -25.788
where: short stacking energy: -23.747
Base-Backbone interact. energy: 0.485
local terms energy: -39.912140
where:
bonds (distance) C4'-P energy: -10.777
bonds (distance) P-C4' energy: -8.019
flat angles C4'-P-C4' energy: -10.614
flat angles P-C4'-P energy: -5.821
tors. eta vs tors. theta energy: -4.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -65.492734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.492734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.492734 (E_RNA)
where:
Base-Base interactions energy: -29.011
where: short stacking energy: -16.062
Base-Backbone interact. energy: -0.159
local terms energy: -36.323055
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -10.946
flat angles P-C4'-P energy: -2.261
tors. eta vs tors. theta energy: 0.658
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: 5
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -71.324829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.324829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.324829 (E_RNA)
where:
Base-Base interactions energy: -32.319
where: short stacking energy: -27.480
Base-Backbone interact. energy: -0.246
local terms energy: -38.759053
where:
bonds (distance) C4'-P energy: -9.692
bonds (distance) P-C4' energy: -9.270
flat angles C4'-P-C4' energy: -9.981
flat angles P-C4'-P energy: -6.000
tors. eta vs tors. theta energy: -3.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -137.878618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.878618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.878618 (E_RNA)
where:
Base-Base interactions energy: -75.302
where: short stacking energy: -47.896
Base-Backbone interact. energy: -0.001
local terms energy: -62.575789
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -12.468
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: 2
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -129.016585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.016585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.016585 (E_RNA)
where:
Base-Base interactions energy: -72.260
where: short stacking energy: -38.192
Base-Backbone interact. energy: -0.008
local terms energy: -56.748114
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -8.475
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: 3, replica: 1
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -119.278620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.278620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.278620 (E_RNA)
where:
Base-Base interactions energy: -65.604
where: short stacking energy: -40.498
Base-Backbone interact. energy: -0.044
local terms energy: -53.631348
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -11.705
flat angles C4'-P-C4' energy: -12.334
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -8.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -89.002751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.002751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.002751 (E_RNA)
where:
Base-Base interactions energy: -39.820
where: short stacking energy: -39.820
Base-Backbone interact. energy: -0.010
local terms energy: -49.173520
where:
bonds (distance) C4'-P energy: -7.705
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -9.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -83.692917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.692917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.692917 (E_RNA)
where:
Base-Base interactions energy: -38.495
where: short stacking energy: -38.495
Base-Backbone interact. energy: -0.008
local terms energy: -45.190120
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -9.510
flat angles C4'-P-C4' energy: -10.791
flat angles P-C4'-P energy: -6.207
tors. eta vs tors. theta energy: -6.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -90.674947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.674947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.674947 (E_RNA)
where:
Base-Base interactions energy: -37.314
where: short stacking energy: -37.314
Base-Backbone interact. energy: -0.002
local terms energy: -53.358293
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -11.517
flat angles C4'-P-C4' energy: -10.366
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -11.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -70.680390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.680390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.680390 (E_RNA)
where:
Base-Base interactions energy: -31.856
where: short stacking energy: -31.856
Base-Backbone interact. energy: -0.137
local terms energy: -38.686709
where:
bonds (distance) C4'-P energy: -8.308
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -10.775
flat angles P-C4'-P energy: -5.581
tors. eta vs tors. theta energy: -0.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -77.450739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.450739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.450739 (E_RNA)
where:
Base-Base interactions energy: -27.131
where: short stacking energy: -27.131
Base-Backbone interact. energy: -0.113
local terms energy: -50.206836
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -10.496
flat angles P-C4'-P energy: -8.317
tors. eta vs tors. theta energy: -5.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -76.687954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.687954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.687954 (E_RNA)
where:
Base-Base interactions energy: -35.663
where: short stacking energy: -36.463
Base-Backbone interact. energy: -0.172
local terms energy: -40.852626
where:
bonds (distance) C4'-P energy: -7.323
bonds (distance) P-C4' energy: -9.051
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -6.334
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: 5
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -62.047588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.047588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.047588 (E_RNA)
where:
Base-Base interactions energy: -22.621
where: short stacking energy: -20.665
Base-Backbone interact. energy: -0.211
local terms energy: -39.215385
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -2.516
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: -2.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -129.029765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.029765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.029765 (E_RNA)
where:
Base-Base interactions energy: -72.235
where: short stacking energy: -42.034
Base-Backbone interact. energy: -0.084
local terms energy: -56.710390
where:
bonds (distance) C4'-P energy: -11.762
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -5.933
tors. eta vs tors. theta energy: -13.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -137.556847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.556847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.556847 (E_RNA)
where:
Base-Base interactions energy: -79.568
where: short stacking energy: -49.493
Base-Backbone interact. energy: -0.001
local terms energy: -57.987682
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -10.887
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -8.033
tors. eta vs tors. theta energy: -13.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -122.241838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.241838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.241838 (E_RNA)
where:
Base-Base interactions energy: -68.715
where: short stacking energy: -40.331
Base-Backbone interact. energy: -0.007
local terms energy: -53.520148
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -7.085
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: 4, replica: 9
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -93.687801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.687801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.687801 (E_RNA)
where:
Base-Base interactions energy: -41.938
where: short stacking energy: -35.844
Base-Backbone interact. energy: -0.095
local terms energy: -51.655012
where:
bonds (distance) C4'-P energy: -11.231
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -3.232
tors. eta vs tors. theta energy: -10.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -98.803800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.803800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.803800 (E_RNA)
where:
Base-Base interactions energy: -45.225
where: short stacking energy: -45.225
Base-Backbone interact. energy: -0.010
local terms energy: -53.568869
where:
bonds (distance) C4'-P energy: -11.266
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -5.708
tors. eta vs tors. theta energy: -10.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -73.849816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.849816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.849816 (E_RNA)
where:
Base-Base interactions energy: -27.024
where: short stacking energy: -20.704
Base-Backbone interact. energy: -0.371
local terms energy: -46.454796
where:
bonds (distance) C4'-P energy: -12.532
bonds (distance) P-C4' energy: -11.738
flat angles C4'-P-C4' energy: -9.809
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -5.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -74.429772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.429772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.429772 (E_RNA)
where:
Base-Base interactions energy: -31.971
where: short stacking energy: -31.971
Base-Backbone interact. energy: -0.117
local terms energy: -42.342562
where:
bonds (distance) C4'-P energy: -9.882
bonds (distance) P-C4' energy: -8.501
flat angles C4'-P-C4' energy: -11.108
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -3.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -66.130267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.130267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.130267 (E_RNA)
where:
Base-Base interactions energy: -32.971
where: short stacking energy: -18.553
Base-Backbone interact. energy: -0.015
local terms energy: -33.144048
where:
bonds (distance) C4'-P energy: -8.219
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -8.875
flat angles P-C4'-P energy: -4.372
tors. eta vs tors. theta energy: -0.192
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: 5
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -69.538448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.538448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.538448 (E_RNA)
where:
Base-Base interactions energy: -20.086
where: short stacking energy: -20.086
Base-Backbone interact. energy: 0.161
local terms energy: -49.613092
where:
bonds (distance) C4'-P energy: -11.212
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -7.042
tors. eta vs tors. theta energy: -5.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -56.236812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.236812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.236812 (E_RNA)
where:
Base-Base interactions energy: -19.654
where: short stacking energy: -19.654
Base-Backbone interact. energy: -0.206
local terms energy: -36.376889
where:
bonds (distance) C4'-P energy: -9.311
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -6.700
flat angles P-C4'-P energy: -3.228
tors. eta vs tors. theta energy: -4.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -138.133233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.133233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.133233 (E_RNA)
where:
Base-Base interactions energy: -81.745
where: short stacking energy: -52.251
Base-Backbone interact. energy: -0.001
local terms energy: -56.387803
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -10.794
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: 7
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -135.058474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.058474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.058474 (E_RNA)
where:
Base-Base interactions energy: -76.794
where: short stacking energy: -52.936
Base-Backbone interact. energy: -0.021
local terms energy: -58.243730
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -11.625
flat angles C4'-P-C4' energy: -11.327
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -15.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -116.021415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.021415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.021415 (E_RNA)
where:
Base-Base interactions energy: -67.748
where: short stacking energy: -39.050
Base-Backbone interact. energy: -0.025
local terms energy: -48.247531
where:
bonds (distance) C4'-P energy: -9.377
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -4.973
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -12.538
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: 8
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -80.349116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.349116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.349116 (E_RNA)
where:
Base-Base interactions energy: -39.422
where: short stacking energy: -34.475
Base-Backbone interact. energy: -0.024
local terms energy: -40.903862
where:
bonds (distance) C4'-P energy: -10.342
bonds (distance) P-C4' energy: -7.750
flat angles C4'-P-C4' energy: -8.370
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -6.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -79.565278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.565278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.565278 (E_RNA)
where:
Base-Base interactions energy: -34.261
where: short stacking energy: -27.288
Base-Backbone interact. energy: -0.143
local terms energy: -45.161776
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -9.967
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -1.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -79.735840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.735840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.735840 (E_RNA)
where:
Base-Base interactions energy: -31.260
where: short stacking energy: -26.061
Base-Backbone interact. energy: 2.026
local terms energy: -50.501998
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -6.987
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: 6
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -81.221903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.221903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.221903 (E_RNA)
where:
Base-Base interactions energy: -34.597
where: short stacking energy: -34.597
Base-Backbone interact. energy: 0.675
local terms energy: -47.299409
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -9.630
flat angles C4'-P-C4' energy: -9.435
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -3.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -73.603740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.603740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.603740 (E_RNA)
where:
Base-Base interactions energy: -26.651
where: short stacking energy: -26.651
Base-Backbone interact. energy: -0.092
local terms energy: -46.860362
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -5.269
tors. eta vs tors. theta energy: -5.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -65.488876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.488876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.488876 (E_RNA)
where:
Base-Base interactions energy: -35.115
where: short stacking energy: -35.115
Base-Backbone interact. energy: -0.075
local terms energy: -30.299405
where:
bonds (distance) C4'-P energy: -9.691
bonds (distance) P-C4' energy: -6.641
flat angles C4'-P-C4' energy: -9.000
flat angles P-C4'-P energy: -1.148
tors. eta vs tors. theta energy: -3.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -60.449827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.449827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.449827 (E_RNA)
where:
Base-Base interactions energy: -19.628
where: short stacking energy: -19.628
Base-Backbone interact. energy: -0.213
local terms energy: -40.608664
where:
bonds (distance) C4'-P energy: -10.830
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -5.379
flat angles P-C4'-P energy: -7.535
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: 7
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -134.064625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.064625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.064625 (E_RNA)
where:
Base-Base interactions energy: -74.612
where: short stacking energy: -45.758
Base-Backbone interact. energy: -0.014
local terms energy: -59.438958
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: -11.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -137.312740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.312740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.312740 (E_RNA)
where:
Base-Base interactions energy: -79.838
where: short stacking energy: -42.996
Base-Backbone interact. energy: -0.133
local terms energy: -57.341576
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -5.386
tors. eta vs tors. theta energy: -13.710
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: 452
Temperature: 1.000000
Total energy: -124.395310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.395310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.395310 (E_RNA)
where:
Base-Base interactions energy: -71.533
where: short stacking energy: -40.868
Base-Backbone interact. energy: -0.021
local terms energy: -52.841384
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -11.255
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -9.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -87.441517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.441517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.441517 (E_RNA)
where:
Base-Base interactions energy: -41.416
where: short stacking energy: -36.153
Base-Backbone interact. energy: 0.427
local terms energy: -46.452659
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -11.320
flat angles P-C4'-P energy: -3.024
tors. eta vs tors. theta energy: -6.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -85.247937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.247937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.247937 (E_RNA)
where:
Base-Base interactions energy: -39.593
where: short stacking energy: -39.593
Base-Backbone interact. energy: -0.028
local terms energy: -45.626584
where:
bonds (distance) C4'-P energy: -8.963
bonds (distance) P-C4' energy: -12.114
flat angles C4'-P-C4' energy: -10.721
flat angles P-C4'-P energy: -6.595
tors. eta vs tors. theta energy: -7.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -80.067263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.067263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.067263 (E_RNA)
where:
Base-Base interactions energy: -32.993
where: short stacking energy: -31.140
Base-Backbone interact. energy: -0.009
local terms energy: -47.065669
where:
bonds (distance) C4'-P energy: -9.870
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -10.822
flat angles P-C4'-P energy: -5.768
tors. eta vs tors. theta energy: -6.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -69.859755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.859755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.859755 (E_RNA)
where:
Base-Base interactions energy: -28.506
where: short stacking energy: -21.305
Base-Backbone interact. energy: -0.190
local terms energy: -41.163183
where:
bonds (distance) C4'-P energy: -7.633
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -10.426
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -2.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -67.796491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.796491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.796491 (E_RNA)
where:
Base-Base interactions energy: -27.904
where: short stacking energy: -27.904
Base-Backbone interact. energy: -0.046
local terms energy: -39.847095
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -9.320
flat angles C4'-P-C4' energy: -7.432
flat angles P-C4'-P energy: -4.555
tors. eta vs tors. theta energy: -5.073
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: 3
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -77.674366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.674366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.674366 (E_RNA)
where:
Base-Base interactions energy: -34.920
where: short stacking energy: -30.393
Base-Backbone interact. energy: -0.144
local terms energy: -42.610473
where:
bonds (distance) C4'-P energy: -6.194
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -8.760
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -6.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -60.954862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.954862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.954862 (E_RNA)
where:
Base-Base interactions energy: -18.247
where: short stacking energy: -18.107
Base-Backbone interact. energy: -0.098
local terms energy: -42.609299
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -9.325
flat angles C4'-P-C4' energy: -10.073
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -3.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -139.319987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.319987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.319987 (E_RNA)
where:
Base-Base interactions energy: -82.060
where: short stacking energy: -49.760
Base-Backbone interact. energy: 0.180
local terms energy: -57.439157
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -10.262
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -14.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -136.346378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.346378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.346378 (E_RNA)
where:
Base-Base interactions energy: -82.390
where: short stacking energy: -47.924
Base-Backbone interact. energy: -0.021
local terms energy: -53.934703
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -8.974
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -11.665
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: 3, replica: 2
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -143.249844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.249844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.249844 (E_RNA)
where:
Base-Base interactions energy: -82.802
where: short stacking energy: -48.394
Base-Backbone interact. energy: -0.060
local terms energy: -60.387666
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -11.189
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -14.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -81.566604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.566604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.566604 (E_RNA)
where:
Base-Base interactions energy: -34.324
where: short stacking energy: -34.324
Base-Backbone interact. energy: -0.044
local terms energy: -47.198239
where:
bonds (distance) C4'-P energy: -9.663
bonds (distance) P-C4' energy: -11.232
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -7.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -86.378789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.378789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.378789 (E_RNA)
where:
Base-Base interactions energy: -35.254
where: short stacking energy: -35.254
Base-Backbone interact. energy: -0.071
local terms energy: -51.053737
where:
bonds (distance) C4'-P energy: -10.698
bonds (distance) P-C4' energy: -8.437
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -10.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -96.738187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.738187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.738187 (E_RNA)
where:
Base-Base interactions energy: -44.452
where: short stacking energy: -44.452
Base-Backbone interact. energy: -0.040
local terms energy: -52.246074
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -8.874
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -11.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -72.582177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.582177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.582177 (E_RNA)
where:
Base-Base interactions energy: -30.998
where: short stacking energy: -30.998
Base-Backbone interact. energy: -0.031
local terms energy: -41.552619
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -9.449
flat angles C4'-P-C4' energy: -7.088
flat angles P-C4'-P energy: -6.450
tors. eta vs tors. theta energy: -4.494
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: 8, replica: 3
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -75.296932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.296932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.296932 (E_RNA)
where:
Base-Base interactions energy: -28.215
where: short stacking energy: -28.215
Base-Backbone interact. energy: -0.048
local terms energy: -47.033304
where:
bonds (distance) C4'-P energy: -11.699
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -3.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -58.214285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.214285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.214285 (E_RNA)
where:
Base-Base interactions energy: -22.123
where: short stacking energy: -22.123
Base-Backbone interact. energy: -0.032
local terms energy: -36.058677
where:
bonds (distance) C4'-P energy: -10.577
bonds (distance) P-C4' energy: -9.484
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -5.669
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: 10, replica: 5
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -60.509115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.509115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.509115 (E_RNA)
where:
Base-Base interactions energy: -15.200
where: short stacking energy: -15.200
Base-Backbone interact. energy: -0.064
local terms energy: -45.244742
where:
bonds (distance) C4'-P energy: -7.333
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -2.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -140.061351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.061351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.061351 (E_RNA)
where:
Base-Base interactions energy: -79.888
where: short stacking energy: -47.400
Base-Backbone interact. energy: -0.009
local terms energy: -60.164494
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -11.833
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -12.888
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: 7
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -136.581901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.581901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.581901 (E_RNA)
where:
Base-Base interactions energy: -83.057
where: short stacking energy: -51.210
Base-Backbone interact. energy: -0.010
local terms energy: -53.514638
where:
bonds (distance) C4'-P energy: -12.532
bonds (distance) P-C4' energy: -10.933
flat angles C4'-P-C4' energy: -9.714
flat angles P-C4'-P energy: -6.458
tors. eta vs tors. theta energy: -13.878
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: 2
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -145.392461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.392461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.392461 (E_RNA)
where:
Base-Base interactions energy: -87.451
where: short stacking energy: -49.539
Base-Backbone interact. energy: -0.040
local terms energy: -57.901576
where:
bonds (distance) C4'-P energy: -9.050
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -14.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -85.825356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.825356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.825356 (E_RNA)
where:
Base-Base interactions energy: -37.095
where: short stacking energy: -37.095
Base-Backbone interact. energy: -0.486
local terms energy: -48.244833
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -7.908
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -8.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -84.534006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.534006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.534006 (E_RNA)
where:
Base-Base interactions energy: -40.412
where: short stacking energy: -40.812
Base-Backbone interact. energy: -0.119
local terms energy: -44.003469
where:
bonds (distance) C4'-P energy: -8.851
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -10.076
flat angles P-C4'-P energy: -5.574
tors. eta vs tors. theta energy: -5.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -67.766950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.766950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.766950 (E_RNA)
where:
Base-Base interactions energy: -26.961
where: short stacking energy: -26.961
Base-Backbone interact. energy: -0.399
local terms energy: -40.406373
where:
bonds (distance) C4'-P energy: -10.317
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -6.604
flat angles P-C4'-P energy: -4.624
tors. eta vs tors. theta energy: -5.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -69.875236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.875236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.875236 (E_RNA)
where:
Base-Base interactions energy: -19.404
where: short stacking energy: -19.404
Base-Backbone interact. energy: -0.099
local terms energy: -50.372854
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -10.119
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -5.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -68.058546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.058546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.058546 (E_RNA)
where:
Base-Base interactions energy: -25.024
where: short stacking energy: -25.024
Base-Backbone interact. energy: -0.016
local terms energy: -43.018918
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -9.725
flat angles C4'-P-C4' energy: -9.624
flat angles P-C4'-P energy: -5.306
tors. eta vs tors. theta energy: -7.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -62.655427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.655427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.655427 (E_RNA)
where:
Base-Base interactions energy: -25.669
where: short stacking energy: -25.629
Base-Backbone interact. energy: -0.258
local terms energy: -36.727890
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -6.679
flat angles P-C4'-P energy: -1.027
tors. eta vs tors. theta energy: -4.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -63.322663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.322663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.322663 (E_RNA)
where:
Base-Base interactions energy: -25.228
where: short stacking energy: -25.228
Base-Backbone interact. energy: -0.094
local terms energy: -38.000697
where:
bonds (distance) C4'-P energy: -8.272
bonds (distance) P-C4' energy: -10.817
flat angles C4'-P-C4' energy: -9.923
flat angles P-C4'-P energy: -4.957
tors. eta vs tors. theta energy: -4.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -139.093550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.093550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.093550 (E_RNA)
where:
Base-Base interactions energy: -79.101
where: short stacking energy: -49.087
Base-Backbone interact. energy: -0.087
local terms energy: -59.905271
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -12.870
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: 2
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -128.210600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.210600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.210600 (E_RNA)
where:
Base-Base interactions energy: -72.996
where: short stacking energy: -39.072
Base-Backbone interact. energy: -0.468
local terms energy: -54.746203
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -6.596
tors. eta vs tors. theta energy: -10.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -126.425957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.425957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.425957 (E_RNA)
where:
Base-Base interactions energy: -71.837
where: short stacking energy: -42.134
Base-Backbone interact. energy: 0.564
local terms energy: -55.153140
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -5.156
tors. eta vs tors. theta energy: -10.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -83.432303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.432303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.432303 (E_RNA)
where:
Base-Base interactions energy: -42.539
where: short stacking energy: -28.985
Base-Backbone interact. energy: -0.151
local terms energy: -40.742504
where:
bonds (distance) C4'-P energy: -8.337
bonds (distance) P-C4' energy: -10.957
flat angles C4'-P-C4' energy: -9.739
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -3.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -82.297074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.297074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.297074 (E_RNA)
where:
Base-Base interactions energy: -39.050
where: short stacking energy: -39.050
Base-Backbone interact. energy: -0.010
local terms energy: -43.237051
where:
bonds (distance) C4'-P energy: -10.275
bonds (distance) P-C4' energy: -9.777
flat angles C4'-P-C4' energy: -11.429
flat angles P-C4'-P energy: -5.587
tors. eta vs tors. theta energy: -6.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -84.797169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.797169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.797169 (E_RNA)
where:
Base-Base interactions energy: -35.298
where: short stacking energy: -35.298
Base-Backbone interact. energy: -0.049
local terms energy: -49.450274
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -3.294
tors. eta vs tors. theta energy: -6.432
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: 4
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -78.222571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.222571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.222571 (E_RNA)
where:
Base-Base interactions energy: -28.888
where: short stacking energy: -28.888
Base-Backbone interact. energy: -0.034
local terms energy: -49.300053
where:
bonds (distance) C4'-P energy: -9.316
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -4.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -72.164405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.164405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.164405 (E_RNA)
where:
Base-Base interactions energy: -30.648
where: short stacking energy: -30.577
Base-Backbone interact. energy: -0.159
local terms energy: -41.357860
where:
bonds (distance) C4'-P energy: -4.774
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -3.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -60.715955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.715955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.715955 (E_RNA)
where:
Base-Base interactions energy: -24.014
where: short stacking energy: -7.698
Base-Backbone interact. energy: -0.118
local terms energy: -36.583747
where:
bonds (distance) C4'-P energy: -9.758
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -11.554
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: 2.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -64.830558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.830558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.830558 (E_RNA)
where:
Base-Base interactions energy: -24.532
where: short stacking energy: -24.532
Base-Backbone interact. energy: -0.002
local terms energy: -40.297372
where:
bonds (distance) C4'-P energy: -11.289
bonds (distance) P-C4' energy: -10.254
flat angles C4'-P-C4' energy: -8.624
flat angles P-C4'-P energy: -0.453
tors. eta vs tors. theta energy: -9.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -132.822144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.822144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.822144 (E_RNA)
where:
Base-Base interactions energy: -82.232
where: short stacking energy: -45.615
Base-Backbone interact. energy: 0.804
local terms energy: -51.393803
where:
bonds (distance) C4'-P energy: -7.761
bonds (distance) P-C4' energy: -10.584
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -13.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -135.234555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.234555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.234555 (E_RNA)
where:
Base-Base interactions energy: -79.984
where: short stacking energy: -49.539
Base-Backbone interact. energy: -0.003
local terms energy: -55.248430
where:
bonds (distance) C4'-P energy: -11.137
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -10.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -129.884250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.884250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.884250 (E_RNA)
where:
Base-Base interactions energy: -75.344
where: short stacking energy: -52.558
Base-Backbone interact. energy: -0.004
local terms energy: -54.535578
where:
bonds (distance) C4'-P energy: -8.520
bonds (distance) P-C4' energy: -12.133
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -12.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -93.912455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.912455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.912455 (E_RNA)
where:
Base-Base interactions energy: -38.947
where: short stacking energy: -38.947
Base-Backbone interact. energy: -0.098
local terms energy: -54.867353
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -8.084
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -9.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -89.536479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.536479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.536479 (E_RNA)
where:
Base-Base interactions energy: -37.360
where: short stacking energy: -37.360
Base-Backbone interact. energy: -0.758
local terms energy: -51.418177
where:
bonds (distance) C4'-P energy: -7.965
bonds (distance) P-C4' energy: -9.201
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -11.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -70.069347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.069347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.069347 (E_RNA)
where:
Base-Base interactions energy: -30.206
where: short stacking energy: -30.206
Base-Backbone interact. energy: -0.088
local terms energy: -39.775233
where:
bonds (distance) C4'-P energy: -9.636
bonds (distance) P-C4' energy: -8.338
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: -4.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -86.655832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.655832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.655832 (E_RNA)
where:
Base-Base interactions energy: -37.001
where: short stacking energy: -37.001
Base-Backbone interact. energy: -0.000
local terms energy: -49.654712
where:
bonds (distance) C4'-P energy: -10.065
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -5.923
tors. eta vs tors. theta energy: -8.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -75.946603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.946603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.946603 (E_RNA)
where:
Base-Base interactions energy: -31.297
where: short stacking energy: -31.297
Base-Backbone interact. energy: -0.117
local terms energy: -44.532497
where:
bonds (distance) C4'-P energy: -10.843
bonds (distance) P-C4' energy: -9.399
flat angles C4'-P-C4' energy: -9.791
flat angles P-C4'-P energy: -5.086
tors. eta vs tors. theta energy: -9.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -62.354607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.354607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.354607 (E_RNA)
where:
Base-Base interactions energy: -20.244
where: short stacking energy: -11.354
Base-Backbone interact. energy: -0.132
local terms energy: -41.979447
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -8.132
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -6.855
tors. eta vs tors. theta energy: -2.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -58.201725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.201725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.201725 (E_RNA)
where:
Base-Base interactions energy: -21.796
where: short stacking energy: -21.796
Base-Backbone interact. energy: -0.035
local terms energy: -36.370449
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -0.267
flat angles P-C4'-P energy: -5.426
tors. eta vs tors. theta energy: -7.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -147.831515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.831515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.831515 (E_RNA)
where:
Base-Base interactions energy: -87.040
where: short stacking energy: -48.717
Base-Backbone interact. energy: 1.021
local terms energy: -61.812003
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -14.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -137.948523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.948523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.948523 (E_RNA)
where:
Base-Base interactions energy: -77.190
where: short stacking energy: -48.594
Base-Backbone interact. energy: -0.152
local terms energy: -60.606587
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -14.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -116.909442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.909442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.909442 (E_RNA)
where:
Base-Base interactions energy: -69.137
where: short stacking energy: -38.840
Base-Backbone interact. energy: -0.237
local terms energy: -47.535221
where:
bonds (distance) C4'-P energy: -10.085
bonds (distance) P-C4' energy: -9.681
flat angles C4'-P-C4' energy: -8.798
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -10.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -89.619599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.619599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.619599 (E_RNA)
where:
Base-Base interactions energy: -36.971
where: short stacking energy: -36.971
Base-Backbone interact. energy: -0.231
local terms energy: -52.417053
where:
bonds (distance) C4'-P energy: -11.732
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -7.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -76.879660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.879660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.879660 (E_RNA)
where:
Base-Base interactions energy: -33.563
where: short stacking energy: -32.872
Base-Backbone interact. energy: -0.028
local terms energy: -43.288219
where:
bonds (distance) C4'-P energy: -9.514
bonds (distance) P-C4' energy: -7.868
flat angles C4'-P-C4' energy: -9.170
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -8.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -101.465796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.465796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.465796 (E_RNA)
where:
Base-Base interactions energy: -53.894
where: short stacking energy: -43.112
Base-Backbone interact. energy: -0.002
local terms energy: -47.569274
where:
bonds (distance) C4'-P energy: -8.733
bonds (distance) P-C4' energy: -8.327
flat angles C4'-P-C4' energy: -9.980
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -11.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -78.594132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.594132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.594132 (E_RNA)
where:
Base-Base interactions energy: -29.121
where: short stacking energy: -29.121
Base-Backbone interact. energy: -0.006
local terms energy: -49.467116
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -8.712
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -6.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -66.538109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.538109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.538109 (E_RNA)
where:
Base-Base interactions energy: -22.627
where: short stacking energy: -22.565
Base-Backbone interact. energy: -0.091
local terms energy: -43.820287
where:
bonds (distance) C4'-P energy: -11.389
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -4.556
tors. eta vs tors. theta energy: -2.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -67.661735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.661735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.661735 (E_RNA)
where:
Base-Base interactions energy: -28.016
where: short stacking energy: -28.016
Base-Backbone interact. energy: 1.769
local terms energy: -41.414027
where:
bonds (distance) C4'-P energy: -6.681
bonds (distance) P-C4' energy: -10.933
flat angles C4'-P-C4' energy: -9.673
flat angles P-C4'-P energy: -5.871
tors. eta vs tors. theta energy: -8.255
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: 5
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -60.133802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.133802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.133802 (E_RNA)
where:
Base-Base interactions energy: -19.262
where: short stacking energy: -19.262
Base-Backbone interact. energy: 1.490
local terms energy: -42.362658
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -11.213
flat angles P-C4'-P energy: -4.264
tors. eta vs tors. theta energy: -2.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -130.118440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.118440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.118440 (E_RNA)
where:
Base-Base interactions energy: -75.970
where: short stacking energy: -42.089
Base-Backbone interact. energy: -0.011
local terms energy: -54.138203
where:
bonds (distance) C4'-P energy: -11.261
bonds (distance) P-C4' energy: -11.724
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -11.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -136.318539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.318539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.318539 (E_RNA)
where:
Base-Base interactions energy: -80.743
where: short stacking energy: -54.960
Base-Backbone interact. energy: -0.016
local terms energy: -55.559371
where:
bonds (distance) C4'-P energy: -8.306
bonds (distance) P-C4' energy: -9.856
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -7.551
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: 3, replica: 7
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -105.448924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.448924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.448924 (E_RNA)
where:
Base-Base interactions energy: -54.589
where: short stacking energy: -34.964
Base-Backbone interact. energy: -0.069
local terms energy: -50.791476
where:
bonds (distance) C4'-P energy: -9.303
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -7.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -87.029654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.029654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.029654 (E_RNA)
where:
Base-Base interactions energy: -39.519
where: short stacking energy: -31.279
Base-Backbone interact. energy: -0.143
local terms energy: -47.367464
where:
bonds (distance) C4'-P energy: -8.519
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -9.805
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -7.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -110.626939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.626939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.626939 (E_RNA)
where:
Base-Base interactions energy: -57.453
where: short stacking energy: -32.427
Base-Backbone interact. energy: -0.002
local terms energy: -53.172531
where:
bonds (distance) C4'-P energy: -10.855
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -11.227
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -6.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -93.548584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.548584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.548584 (E_RNA)
where:
Base-Base interactions energy: -41.939
where: short stacking energy: -25.236
Base-Backbone interact. energy: -0.468
local terms energy: -51.141447
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -7.682
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: 7, replica: 4
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -76.728687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.728687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.728687 (E_RNA)
where:
Base-Base interactions energy: -29.343
where: short stacking energy: -29.326
Base-Backbone interact. energy: -0.096
local terms energy: -47.289694
where:
bonds (distance) C4'-P energy: -9.071
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -4.415
tors. eta vs tors. theta energy: -8.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -77.259393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.259393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.259393 (E_RNA)
where:
Base-Base interactions energy: -35.718
where: short stacking energy: -32.127
Base-Backbone interact. energy: -0.087
local terms energy: -41.453891
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -8.851
flat angles C4'-P-C4' energy: -7.889
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: -4.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -65.701930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.701930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.701930 (E_RNA)
where:
Base-Base interactions energy: -22.354
where: short stacking energy: -22.354
Base-Backbone interact. energy: -0.130
local terms energy: -43.217218
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -7.454
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -1.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -63.018186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.018186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.018186 (E_RNA)
where:
Base-Base interactions energy: -20.867
where: short stacking energy: -20.867
Base-Backbone interact. energy: -0.099
local terms energy: -42.051598
where:
bonds (distance) C4'-P energy: -8.830
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -10.799
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -2.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -150.722415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.722415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.722415 (E_RNA)
where:
Base-Base interactions energy: -92.226
where: short stacking energy: -57.283
Base-Backbone interact. energy: -0.013
local terms energy: -58.482984
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -8.229
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: 2, replica: 7
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -122.349700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.349700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.349700 (E_RNA)
where:
Base-Base interactions energy: -66.554
where: short stacking energy: -49.752
Base-Backbone interact. energy: -0.014
local terms energy: -55.781912
where:
bonds (distance) C4'-P energy: -11.070
bonds (distance) P-C4' energy: -13.965
flat angles C4'-P-C4' energy: -11.024
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -12.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -143.026907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.026907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.026907 (E_RNA)
where:
Base-Base interactions energy: -88.152
where: short stacking energy: -50.301
Base-Backbone interact. energy: -0.011
local terms energy: -54.863964
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -10.871
flat angles C4'-P-C4' energy: -10.518
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -13.328
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: 10
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -84.133219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.133219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.133219 (E_RNA)
where:
Base-Base interactions energy: -35.777
where: short stacking energy: -25.551
Base-Backbone interact. energy: -0.081
local terms energy: -48.275623
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -7.897
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -5.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -79.426523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.426523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.426523 (E_RNA)
where:
Base-Base interactions energy: -29.574
where: short stacking energy: -29.574
Base-Backbone interact. energy: -0.181
local terms energy: -49.672030
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -10.934
flat angles P-C4'-P energy: -6.152
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: 6, replica: 3
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -89.998529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.998529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.998529 (E_RNA)
where:
Base-Base interactions energy: -34.701
where: short stacking energy: -34.701
Base-Backbone interact. energy: -0.094
local terms energy: -55.203908
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -9.953
flat angles P-C4'-P energy: -9.050
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: 7, replica: 4
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -79.097499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.097499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.097499 (E_RNA)
where:
Base-Base interactions energy: -32.650
where: short stacking energy: -28.643
Base-Backbone interact. energy: -0.032
local terms energy: -46.415897
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -10.104
flat angles C4'-P-C4' energy: -10.915
flat angles P-C4'-P energy: -5.895
tors. eta vs tors. theta energy: -8.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -64.179720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.179720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.179720 (E_RNA)
where:
Base-Base interactions energy: -28.896
where: short stacking energy: -13.919
Base-Backbone interact. energy: 0.145
local terms energy: -35.428696
where:
bonds (distance) C4'-P energy: -8.715
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -6.105
tors. eta vs tors. theta energy: 2.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -61.003712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.003712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.003712 (E_RNA)
where:
Base-Base interactions energy: -18.765
where: short stacking energy: -17.948
Base-Backbone interact. energy: -0.138
local terms energy: -42.099987
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -11.317
flat angles C4'-P-C4' energy: -11.738
flat angles P-C4'-P energy: -7.099
tors. eta vs tors. theta energy: -1.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -64.776074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.776074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.776074 (E_RNA)
where:
Base-Base interactions energy: -21.967
where: short stacking energy: -15.475
Base-Backbone interact. energy: 0.164
local terms energy: -42.972822
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -10.670
flat angles C4'-P-C4' energy: -9.474
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -3.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -132.783408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.783408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.783408 (E_RNA)
where:
Base-Base interactions energy: -80.337
where: short stacking energy: -42.170
Base-Backbone interact. energy: -0.035
local terms energy: -52.410935
where:
bonds (distance) C4'-P energy: -11.786
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -6.317
tors. eta vs tors. theta energy: -8.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -135.940430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.940430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.940430 (E_RNA)
where:
Base-Base interactions energy: -76.109
where: short stacking energy: -49.629
Base-Backbone interact. energy: -0.056
local terms energy: -59.776064
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -11.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -136.206813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.206813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.206813 (E_RNA)
where:
Base-Base interactions energy: -85.477
where: short stacking energy: -50.857
Base-Backbone interact. energy: -0.040
local terms energy: -50.689616
where:
bonds (distance) C4'-P energy: -6.909
bonds (distance) P-C4' energy: -9.148
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -14.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -74.062434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.062434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.062434 (E_RNA)
where:
Base-Base interactions energy: -33.583
where: short stacking energy: -33.583
Base-Backbone interact. energy: -0.103
local terms energy: -40.376166
where:
bonds (distance) C4'-P energy: -9.820
bonds (distance) P-C4' energy: -9.646
flat angles C4'-P-C4' energy: -7.561
flat angles P-C4'-P energy: -6.511
tors. eta vs tors. theta energy: -6.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -83.317979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.317979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.317979 (E_RNA)
where:
Base-Base interactions energy: -33.534
where: short stacking energy: -33.534
Base-Backbone interact. energy: -0.003
local terms energy: -49.781335
where:
bonds (distance) C4'-P energy: -8.834
bonds (distance) P-C4' energy: -12.274
flat angles C4'-P-C4' energy: -9.006
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -10.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -75.439594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.439594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.439594 (E_RNA)
where:
Base-Base interactions energy: -29.089
where: short stacking energy: -29.089
Base-Backbone interact. energy: -0.015
local terms energy: -46.335989
where:
bonds (distance) C4'-P energy: -6.364
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: -6.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -77.328857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.328857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.328857 (E_RNA)
where:
Base-Base interactions energy: -31.032
where: short stacking energy: -29.895
Base-Backbone interact. energy: -0.192
local terms energy: -46.105118
where:
bonds (distance) C4'-P energy: -10.453
bonds (distance) P-C4' energy: -10.950
flat angles C4'-P-C4' energy: -10.432
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -4.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -72.758764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.758764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.758764 (E_RNA)
where:
Base-Base interactions energy: -31.494
where: short stacking energy: -31.494
Base-Backbone interact. energy: -1.215
local terms energy: -40.048993
where:
bonds (distance) C4'-P energy: -6.572
bonds (distance) P-C4' energy: -10.546
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -6.200
tors. eta vs tors. theta energy: -5.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -62.044900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.044900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.044900 (E_RNA)
where:
Base-Base interactions energy: -17.916
where: short stacking energy: -17.916
Base-Backbone interact. energy: -0.015
local terms energy: -44.114382
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -7.070
flat angles P-C4'-P energy: -6.518
tors. eta vs tors. theta energy: -4.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -70.394666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.394666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.394666 (E_RNA)
where:
Base-Base interactions energy: -27.500
where: short stacking energy: -27.500
Base-Backbone interact. energy: -0.053
local terms energy: -42.841535
where:
bonds (distance) C4'-P energy: -6.086
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -8.400
flat angles P-C4'-P energy: -5.941
tors. eta vs tors. theta energy: -8.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -135.682586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.682586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.682586 (E_RNA)
where:
Base-Base interactions energy: -76.346
where: short stacking energy: -53.669
Base-Backbone interact. energy: 1.439
local terms energy: -60.775260
where:
bonds (distance) C4'-P energy: -12.134
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -13.942
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: 2
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -130.097029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.097029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.097029 (E_RNA)
where:
Base-Base interactions energy: -73.985
where: short stacking energy: -43.291
Base-Backbone interact. energy: 0.279
local terms energy: -56.391163
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -10.432
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -12.442
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: 1
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -137.135754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.135754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.135754 (E_RNA)
where:
Base-Base interactions energy: -84.014
where: short stacking energy: -51.543
Base-Backbone interact. energy: -0.005
local terms energy: -53.116758
where:
bonds (distance) C4'-P energy: -7.265
bonds (distance) P-C4' energy: -11.543
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -14.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -86.982087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.982087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.982087 (E_RNA)
where:
Base-Base interactions energy: -38.660
where: short stacking energy: -38.660
Base-Backbone interact. energy: -0.002
local terms energy: -48.320115
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -11.451
flat angles C4'-P-C4' energy: -9.674
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -6.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -104.354716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.354716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.354716 (E_RNA)
where:
Base-Base interactions energy: -47.106
where: short stacking energy: -47.106
Base-Backbone interact. energy: -0.001
local terms energy: -57.247380
where:
bonds (distance) C4'-P energy: -10.201
bonds (distance) P-C4' energy: -12.100
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -12.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -89.492524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.492524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.492524 (E_RNA)
where:
Base-Base interactions energy: -37.415
where: short stacking energy: -37.067
Base-Backbone interact. energy: -0.014
local terms energy: -52.063822
where:
bonds (distance) C4'-P energy: -10.652
bonds (distance) P-C4' energy: -9.252
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -7.423
tors. eta vs tors. theta energy: -11.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -69.836633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.836633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.836633 (E_RNA)
where:
Base-Base interactions energy: -26.134
where: short stacking energy: -25.777
Base-Backbone interact. energy: -0.241
local terms energy: -43.462461
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -9.270
flat angles P-C4'-P energy: -5.822
tors. eta vs tors. theta energy: -4.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -69.934232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.934232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.934232 (E_RNA)
where:
Base-Base interactions energy: -34.722
where: short stacking energy: -34.722
Base-Backbone interact. energy: -0.142
local terms energy: -35.070115
where:
bonds (distance) C4'-P energy: -9.364
bonds (distance) P-C4' energy: -10.679
flat angles C4'-P-C4' energy: -2.131
flat angles P-C4'-P energy: -5.939
tors. eta vs tors. theta energy: -6.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -61.965104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.965104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.965104 (E_RNA)
where:
Base-Base interactions energy: -22.663
where: short stacking energy: -22.663
Base-Backbone interact. energy: -0.084
local terms energy: -39.217442
where:
bonds (distance) C4'-P energy: -5.208
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -10.696
flat angles P-C4'-P energy: -6.799
tors. eta vs tors. theta energy: -4.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -68.529600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.529600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.529600 (E_RNA)
where:
Base-Base interactions energy: -19.718
where: short stacking energy: -19.718
Base-Backbone interact. energy: -0.203
local terms energy: -48.608915
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -8.227
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: 1, replica: 7
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -138.358230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.358230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.358230 (E_RNA)
where:
Base-Base interactions energy: -79.667
where: short stacking energy: -45.292
Base-Backbone interact. energy: 0.078
local terms energy: -58.768670
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -13.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -118.009981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.009981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.009981 (E_RNA)
where:
Base-Base interactions energy: -70.707
where: short stacking energy: -47.039
Base-Backbone interact. energy: -0.002
local terms energy: -47.301289
where:
bonds (distance) C4'-P energy: -7.535
bonds (distance) P-C4' energy: -10.924
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: -7.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -118.597420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.597420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.597420 (E_RNA)
where:
Base-Base interactions energy: -68.277
where: short stacking energy: -43.201
Base-Backbone interact. energy: -0.307
local terms energy: -50.012649
where:
bonds (distance) C4'-P energy: -8.495
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -8.648
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -12.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -79.157375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.157375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.157375 (E_RNA)
where:
Base-Base interactions energy: -32.637
where: short stacking energy: -31.135
Base-Backbone interact. energy: -0.197
local terms energy: -46.323390
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -5.868
tors. eta vs tors. theta energy: -4.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -95.122698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.122698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.122698 (E_RNA)
where:
Base-Base interactions energy: -45.405
where: short stacking energy: -35.570
Base-Backbone interact. energy: -0.021
local terms energy: -49.696607
where:
bonds (distance) C4'-P energy: -5.569
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -10.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -80.715995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.715995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.715995 (E_RNA)
where:
Base-Base interactions energy: -31.030
where: short stacking energy: -31.030
Base-Backbone interact. energy: -0.001
local terms energy: -49.685182
where:
bonds (distance) C4'-P energy: -10.599
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: -7.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -66.967466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.967466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.967466 (E_RNA)
where:
Base-Base interactions energy: -26.575
where: short stacking energy: -26.575
Base-Backbone interact. energy: -0.185
local terms energy: -40.207050
where:
bonds (distance) C4'-P energy: -7.162
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -7.361
flat angles P-C4'-P energy: -6.282
tors. eta vs tors. theta energy: -6.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -65.679172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.679172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.679172 (E_RNA)
where:
Base-Base interactions energy: -30.343
where: short stacking energy: -30.343
Base-Backbone interact. energy: -0.218
local terms energy: -35.117860
where:
bonds (distance) C4'-P energy: -5.609
bonds (distance) P-C4' energy: -11.335
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -5.334
tors. eta vs tors. theta energy: -0.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -71.640144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.640144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.640144 (E_RNA)
where:
Base-Base interactions energy: -25.676
where: short stacking energy: -25.676
Base-Backbone interact. energy: -0.001
local terms energy: -45.963038
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -10.075
flat angles C4'-P-C4' energy: -10.149
flat angles P-C4'-P energy: -6.437
tors. eta vs tors. theta energy: -6.282
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: 10, replica: 4
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -57.999091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.999091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.999091 (E_RNA)
where:
Base-Base interactions energy: -15.355
where: short stacking energy: -15.355
Base-Backbone interact. energy: -0.033
local terms energy: -42.611785
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -0.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -129.613172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.613172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.613172 (E_RNA)
where:
Base-Base interactions energy: -77.462
where: short stacking energy: -46.671
Base-Backbone interact. energy: -0.003
local terms energy: -52.148163
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -4.611
tors. eta vs tors. theta energy: -8.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -135.824726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.824726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.824726 (E_RNA)
where:
Base-Base interactions energy: -74.289
where: short stacking energy: -44.647
Base-Backbone interact. energy: -0.000
local terms energy: -61.535362
where:
bonds (distance) C4'-P energy: -10.312
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -15.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -130.251104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.251104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.251104 (E_RNA)
where:
Base-Base interactions energy: -73.424
where: short stacking energy: -46.908
Base-Backbone interact. energy: -0.085
local terms energy: -56.741889
where:
bonds (distance) C4'-P energy: -11.699
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -6.619
tors. eta vs tors. theta energy: -13.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -93.478890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.478890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.478890 (E_RNA)
where:
Base-Base interactions energy: -43.383
where: short stacking energy: -43.383
Base-Backbone interact. energy: -0.008
local terms energy: -50.088587
where:
bonds (distance) C4'-P energy: -9.297
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -10.581
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -8.250
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: 463
Temperature: 1.100000
Total energy: -89.308165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.308165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.308165 (E_RNA)
where:
Base-Base interactions energy: -38.458
where: short stacking energy: -32.084
Base-Backbone interact. energy: -0.092
local terms energy: -50.758177
where:
bonds (distance) C4'-P energy: -7.347
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -11.187
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -9.222
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: 10
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -76.613160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.613160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.613160 (E_RNA)
where:
Base-Base interactions energy: -28.244
where: short stacking energy: -28.444
Base-Backbone interact. energy: -0.023
local terms energy: -48.346465
where:
bonds (distance) C4'-P energy: -11.265
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -7.999
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -7.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -73.353730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.353730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.353730 (E_RNA)
where:
Base-Base interactions energy: -32.965
where: short stacking energy: -32.965
Base-Backbone interact. energy: 2.185
local terms energy: -42.573972
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -6.799
flat angles C4'-P-C4' energy: -9.926
flat angles P-C4'-P energy: -5.034
tors. eta vs tors. theta energy: -9.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -68.857000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.857000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.857000 (E_RNA)
where:
Base-Base interactions energy: -24.947
where: short stacking energy: -24.947
Base-Backbone interact. energy: -0.050
local terms energy: -43.860427
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -9.517
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -2.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -73.550217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.550217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.550217 (E_RNA)
where:
Base-Base interactions energy: -34.197
where: short stacking energy: -34.197
Base-Backbone interact. energy: -0.012
local terms energy: -39.341468
where:
bonds (distance) C4'-P energy: -4.546
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -10.327
flat angles P-C4'-P energy: -3.648
tors. eta vs tors. theta energy: -8.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -71.199457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.199457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.199457 (E_RNA)
where:
Base-Base interactions energy: -25.701
where: short stacking energy: -25.701
Base-Backbone interact. energy: -0.039
local terms energy: -45.458825
where:
bonds (distance) C4'-P energy: -9.137
bonds (distance) P-C4' energy: -8.979
flat angles C4'-P-C4' energy: -10.325
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -7.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -134.640109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.640109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.640109 (E_RNA)
where:
Base-Base interactions energy: -76.502
where: short stacking energy: -46.687
Base-Backbone interact. energy: -0.014
local terms energy: -58.123883
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -10.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -122.846081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.846081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.846081 (E_RNA)
where:
Base-Base interactions energy: -64.360
where: short stacking energy: -45.030
Base-Backbone interact. energy: -0.808
local terms energy: -57.678138
where:
bonds (distance) C4'-P energy: -12.127
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -6.448
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: 3, replica: 2
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -128.603780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.603780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.603780 (E_RNA)
where:
Base-Base interactions energy: -69.835
where: short stacking energy: -45.668
Base-Backbone interact. energy: 0.239
local terms energy: -59.007858
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -11.527
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -14.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -87.987939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.987939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.987939 (E_RNA)
where:
Base-Base interactions energy: -34.280
where: short stacking energy: -34.280
Base-Backbone interact. energy: -0.033
local terms energy: -53.675001
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -11.374
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -7.112
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: 10
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -91.666467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.666467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.666467 (E_RNA)
where:
Base-Base interactions energy: -40.460
where: short stacking energy: -40.460
Base-Backbone interact. energy: -0.000
local terms energy: -51.206453
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -2.821
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: 6, replica: 3
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -75.635335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.635335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.635335 (E_RNA)
where:
Base-Base interactions energy: -32.025
where: short stacking energy: -32.025
Base-Backbone interact. energy: -0.087
local terms energy: -43.523338
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -10.178
flat angles P-C4'-P energy: -4.995
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: 7, replica: 9
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -67.400041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.400041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.400041 (E_RNA)
where:
Base-Base interactions energy: -23.442
where: short stacking energy: -23.442
Base-Backbone interact. energy: -0.085
local terms energy: -43.872559
where:
bonds (distance) C4'-P energy: -10.155
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -9.683
flat angles P-C4'-P energy: -6.920
tors. eta vs tors. theta energy: -4.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -73.832934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.832934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.832934 (E_RNA)
where:
Base-Base interactions energy: -29.518
where: short stacking energy: -29.518
Base-Backbone interact. energy: -1.852
local terms energy: -42.462582
where:
bonds (distance) C4'-P energy: -10.245
bonds (distance) P-C4' energy: -14.478
flat angles C4'-P-C4' energy: -9.675
flat angles P-C4'-P energy: -4.990
tors. eta vs tors. theta energy: -3.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -63.494020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.494020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.494020 (E_RNA)
where:
Base-Base interactions energy: -19.350
where: short stacking energy: -19.350
Base-Backbone interact. energy: 0.360
local terms energy: -44.504023
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -3.770
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: 10, replica: 4
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -67.596059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.596059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.596059 (E_RNA)
where:
Base-Base interactions energy: -22.885
where: short stacking energy: -22.885
Base-Backbone interact. energy: -0.114
local terms energy: -44.596742
where:
bonds (distance) C4'-P energy: -12.598
bonds (distance) P-C4' energy: -9.591
flat angles C4'-P-C4' energy: -10.584
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -2.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -137.244185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.244185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.244185 (E_RNA)
where:
Base-Base interactions energy: -80.663
where: short stacking energy: -47.593
Base-Backbone interact. energy: -0.002
local terms energy: -56.578363
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -7.772
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: 2, replica: 2
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -130.311856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.311856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.311856 (E_RNA)
where:
Base-Base interactions energy: -72.446
where: short stacking energy: -43.952
Base-Backbone interact. energy: -0.075
local terms energy: -57.790744
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -14.686
flat angles C4'-P-C4' energy: -11.495
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -9.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -128.896206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.896206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.896206 (E_RNA)
where:
Base-Base interactions energy: -73.883
where: short stacking energy: -43.151
Base-Backbone interact. energy: -0.001
local terms energy: -55.012232
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -10.691
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: -9.938
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: 10
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -84.647070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.647070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.647070 (E_RNA)
where:
Base-Base interactions energy: -42.781
where: short stacking energy: -28.693
Base-Backbone interact. energy: -0.175
local terms energy: -41.691453
where:
bonds (distance) C4'-P energy: -11.629
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -8.978
flat angles P-C4'-P energy: -7.265
tors. eta vs tors. theta energy: -0.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -79.612667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.612667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.612667 (E_RNA)
where:
Base-Base interactions energy: -31.228
where: short stacking energy: -31.228
Base-Backbone interact. energy: -0.072
local terms energy: -48.313473
where:
bonds (distance) C4'-P energy: -12.196
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -3.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -80.808490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.808490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.808490 (E_RNA)
where:
Base-Base interactions energy: -29.902
where: short stacking energy: -24.846
Base-Backbone interact. energy: -0.090
local terms energy: -50.816487
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -9.550
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -5.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -75.949242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.949242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.949242 (E_RNA)
where:
Base-Base interactions energy: -28.292
where: short stacking energy: -23.598
Base-Backbone interact. energy: -0.222
local terms energy: -47.435473
where:
bonds (distance) C4'-P energy: -11.128
bonds (distance) P-C4' energy: -10.102
flat angles C4'-P-C4' energy: -11.368
flat angles P-C4'-P energy: -6.337
tors. eta vs tors. theta energy: -8.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -68.525434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.525434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.525434 (E_RNA)
where:
Base-Base interactions energy: -28.940
where: short stacking energy: -28.940
Base-Backbone interact. energy: -0.088
local terms energy: -39.497452
where:
bonds (distance) C4'-P energy: -11.116
bonds (distance) P-C4' energy: -9.637
flat angles C4'-P-C4' energy: -11.466
flat angles P-C4'-P energy: -2.386
tors. eta vs tors. theta energy: -4.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -63.064619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.064619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.064619 (E_RNA)
where:
Base-Base interactions energy: -26.870
where: short stacking energy: -20.335
Base-Backbone interact. energy: -0.242
local terms energy: -35.952694
where:
bonds (distance) C4'-P energy: -9.837
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -4.846
flat angles P-C4'-P energy: -6.085
tors. eta vs tors. theta energy: -2.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -60.452276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.452276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.452276 (E_RNA)
where:
Base-Base interactions energy: -19.663
where: short stacking energy: -19.663
Base-Backbone interact. energy: -0.001
local terms energy: -40.789023
where:
bonds (distance) C4'-P energy: -9.604
bonds (distance) P-C4' energy: -9.704
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -3.563
tors. eta vs tors. theta energy: -5.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -144.838627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.838627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.838627 (E_RNA)
where:
Base-Base interactions energy: -88.407
where: short stacking energy: -47.768
Base-Backbone interact. energy: -0.029
local terms energy: -56.402418
where:
bonds (distance) C4'-P energy: -9.704
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -6.306
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: 2, replica: 1
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -138.068075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.068075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.068075 (E_RNA)
where:
Base-Base interactions energy: -82.752
where: short stacking energy: -52.262
Base-Backbone interact. energy: -0.034
local terms energy: -55.282647
where:
bonds (distance) C4'-P energy: -8.807
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -10.748
flat angles P-C4'-P energy: -7.197
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: 3, replica: 7
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -124.073141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.073141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.073141 (E_RNA)
where:
Base-Base interactions energy: -71.800
where: short stacking energy: -44.276
Base-Backbone interact. energy: -0.004
local terms energy: -52.269363
where:
bonds (distance) C4'-P energy: -9.766
bonds (distance) P-C4' energy: -13.875
flat angles C4'-P-C4' energy: -9.881
flat angles P-C4'-P energy: -6.530
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: 4, replica: 10
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -79.947625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.947625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.947625 (E_RNA)
where:
Base-Base interactions energy: -31.960
where: short stacking energy: -27.898
Base-Backbone interact. energy: -0.070
local terms energy: -47.917588
where:
bonds (distance) C4'-P energy: -10.437
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: -4.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -78.587548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.587548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.587548 (E_RNA)
where:
Base-Base interactions energy: -36.280
where: short stacking energy: -36.280
Base-Backbone interact. energy: 0.255
local terms energy: -42.562929
where:
bonds (distance) C4'-P energy: -11.513
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -10.094
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -1.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -95.817904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.817904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.817904 (E_RNA)
where:
Base-Base interactions energy: -44.444
where: short stacking energy: -27.941
Base-Backbone interact. energy: -0.216
local terms energy: -51.158006
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -7.182
tors. eta vs tors. theta energy: -5.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -72.792547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.792547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.792547 (E_RNA)
where:
Base-Base interactions energy: -30.664
where: short stacking energy: -30.664
Base-Backbone interact. energy: -0.003
local terms energy: -42.125892
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -11.402
flat angles C4'-P-C4' energy: -9.212
flat angles P-C4'-P energy: -5.170
tors. eta vs tors. theta energy: -4.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -64.383000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.383000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.383000 (E_RNA)
where:
Base-Base interactions energy: -19.658
where: short stacking energy: -19.551
Base-Backbone interact. energy: -0.998
local terms energy: -43.727386
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -9.132
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -2.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -73.384378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.384378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.384378 (E_RNA)
where:
Base-Base interactions energy: -26.424
where: short stacking energy: -20.847
Base-Backbone interact. energy: -0.165
local terms energy: -46.794698
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -10.602
flat angles P-C4'-P energy: -8.375
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: 6
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -59.021354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.021354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.021354 (E_RNA)
where:
Base-Base interactions energy: -17.010
where: short stacking energy: -17.010
Base-Backbone interact. energy: -0.020
local terms energy: -41.991877
where:
bonds (distance) C4'-P energy: -12.349
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -4.814
tors. eta vs tors. theta energy: -1.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -137.635901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.635901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.635901 (E_RNA)
where:
Base-Base interactions energy: -78.448
where: short stacking energy: -50.949
Base-Backbone interact. energy: -0.002
local terms energy: -59.185997
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -4.759
tors. eta vs tors. theta energy: -15.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -141.988405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.988405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.988405 (E_RNA)
where:
Base-Base interactions energy: -81.628
where: short stacking energy: -51.814
Base-Backbone interact. energy: -0.005
local terms energy: -60.355307
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -9.244
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: 467
Temperature: 1.000000
Total energy: -133.845274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.845274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.845274 (E_RNA)
where:
Base-Base interactions energy: -81.328
where: short stacking energy: -51.732
Base-Backbone interact. energy: -0.025
local terms energy: -52.492560
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -10.979
flat angles P-C4'-P energy: -4.159
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: 4, replica: 9
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -87.458324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.458324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.458324 (E_RNA)
where:
Base-Base interactions energy: -38.688
where: short stacking energy: -38.688
Base-Backbone interact. energy: -0.100
local terms energy: -48.669748
where:
bonds (distance) C4'-P energy: -7.919
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -9.195
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -11.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -76.373571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.373571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.373571 (E_RNA)
where:
Base-Base interactions energy: -29.846
where: short stacking energy: -29.846
Base-Backbone interact. energy: -0.035
local terms energy: -46.492825
where:
bonds (distance) C4'-P energy: -10.156
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -2.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -86.916728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.916728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.916728 (E_RNA)
where:
Base-Base interactions energy: -36.762
where: short stacking energy: -36.762
Base-Backbone interact. energy: -0.005
local terms energy: -50.149808
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -10.362
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: -8.349
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: 8
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -76.447936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.447936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.447936 (E_RNA)
where:
Base-Base interactions energy: -36.087
where: short stacking energy: -20.670
Base-Backbone interact. energy: -0.085
local terms energy: -40.276503
where:
bonds (distance) C4'-P energy: -11.294
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -9.713
flat angles P-C4'-P energy: -5.791
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: 8, replica: 4
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -73.753060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.753060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.753060 (E_RNA)
where:
Base-Base interactions energy: -25.683
where: short stacking energy: -25.683
Base-Backbone interact. energy: -0.102
local terms energy: -47.968573
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -8.560
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -6.189
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: 3
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -69.922370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.922370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.922370 (E_RNA)
where:
Base-Base interactions energy: -25.152
where: short stacking energy: -24.796
Base-Backbone interact. energy: -0.184
local terms energy: -44.586384
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -10.828
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -4.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -73.276114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.276114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.276114 (E_RNA)
where:
Base-Base interactions energy: -25.623
where: short stacking energy: -25.623
Base-Backbone interact. energy: -0.101
local terms energy: -47.552396
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -8.421
flat angles P-C4'-P energy: -6.722
tors. eta vs tors. theta energy: -5.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -132.233996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.233996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.233996 (E_RNA)
where:
Base-Base interactions energy: -73.424
where: short stacking energy: -43.871
Base-Backbone interact. energy: -0.592
local terms energy: -58.218371
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -9.618
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: 2
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -131.287250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.287250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.287250 (E_RNA)
where:
Base-Base interactions energy: -79.976
where: short stacking energy: -42.009
Base-Backbone interact. energy: -0.018
local terms energy: -51.293802
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -5.392
tors. eta vs tors. theta energy: -10.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -132.713330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.713330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.713330 (E_RNA)
where:
Base-Base interactions energy: -71.650
where: short stacking energy: -52.951
Base-Backbone interact. energy: -0.001
local terms energy: -61.061887
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -5.843
tors. eta vs tors. theta energy: -16.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -96.540069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.540069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.540069 (E_RNA)
where:
Base-Base interactions energy: -44.940
where: short stacking energy: -44.940
Base-Backbone interact. energy: 0.714
local terms energy: -52.313502
where:
bonds (distance) C4'-P energy: -8.090
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -5.181
tors. eta vs tors. theta energy: -13.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -86.652286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.652286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.652286 (E_RNA)
where:
Base-Base interactions energy: -33.403
where: short stacking energy: -33.403
Base-Backbone interact. energy: -0.036
local terms energy: -53.213358
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -11.262
flat angles C4'-P-C4' energy: -11.589
flat angles P-C4'-P energy: -7.464
tors. eta vs tors. theta energy: -9.982
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: 5
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -77.278321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.278321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.278321 (E_RNA)
where:
Base-Base interactions energy: -31.764
where: short stacking energy: -31.764
Base-Backbone interact. energy: -0.070
local terms energy: -45.444577
where:
bonds (distance) C4'-P energy: -9.150
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -8.754
flat angles P-C4'-P energy: -8.731
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: 7, replica: 4
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -83.227262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.227262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.227262 (E_RNA)
where:
Base-Base interactions energy: -33.232
where: short stacking energy: -31.933
Base-Backbone interact. energy: -0.020
local terms energy: -49.975386
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -10.271
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -8.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -67.298734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.298734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.298734 (E_RNA)
where:
Base-Base interactions energy: -22.161
where: short stacking energy: -22.161
Base-Backbone interact. energy: -0.164
local terms energy: -44.973378
where:
bonds (distance) C4'-P energy: -11.476
bonds (distance) P-C4' energy: -9.701
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -4.763
tors. eta vs tors. theta energy: -6.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -71.098902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.098902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.098902 (E_RNA)
where:
Base-Base interactions energy: -24.798
where: short stacking energy: -24.798
Base-Backbone interact. energy: -0.038
local terms energy: -46.263039
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -11.332
flat angles C4'-P-C4' energy: -9.099
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -5.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -61.564654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.564654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.564654 (E_RNA)
where:
Base-Base interactions energy: -25.351
where: short stacking energy: -25.351
Base-Backbone interact. energy: 0.717
local terms energy: -36.930079
where:
bonds (distance) C4'-P energy: -7.900
bonds (distance) P-C4' energy: -8.769
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -3.849
tors. eta vs tors. theta energy: -3.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -143.465239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.465239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.465239 (E_RNA)
where:
Base-Base interactions energy: -85.366
where: short stacking energy: -48.430
Base-Backbone interact. energy: -0.033
local terms energy: -58.066000
where:
bonds (distance) C4'-P energy: -11.844
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -9.144
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: 2, replica: 2
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -135.583085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.583085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.583085 (E_RNA)
where:
Base-Base interactions energy: -80.329
where: short stacking energy: -45.485
Base-Backbone interact. energy: 0.707
local terms energy: -55.961433
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -9.800
flat angles P-C4'-P energy: -7.825
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: 3, replica: 7
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -126.716572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.716572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.716572 (E_RNA)
where:
Base-Base interactions energy: -70.727
where: short stacking energy: -46.933
Base-Backbone interact. energy: -0.064
local terms energy: -55.925471
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -4.692
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: 4, replica: 9
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -92.743081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.743081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.743081 (E_RNA)
where:
Base-Base interactions energy: -42.236
where: short stacking energy: -39.727
Base-Backbone interact. energy: -0.032
local terms energy: -50.475217
where:
bonds (distance) C4'-P energy: -10.843
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -6.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -81.133028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.133028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.133028 (E_RNA)
where:
Base-Base interactions energy: -32.924
where: short stacking energy: -32.924
Base-Backbone interact. energy: 0.752
local terms energy: -48.961092
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -1.997
tors. eta vs tors. theta energy: -7.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -81.978157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.978157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.978157 (E_RNA)
where:
Base-Base interactions energy: -35.382
where: short stacking energy: -35.382
Base-Backbone interact. energy: -0.028
local terms energy: -46.568482
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -9.306
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: -7.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -72.984826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.984826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.984826 (E_RNA)
where:
Base-Base interactions energy: -32.732
where: short stacking energy: -20.035
Base-Backbone interact. energy: 0.536
local terms energy: -40.788989
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -7.986
flat angles C4'-P-C4' energy: -7.636
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -2.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -70.607803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.607803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.607803 (E_RNA)
where:
Base-Base interactions energy: -25.870
where: short stacking energy: -25.870
Base-Backbone interact. energy: -0.273
local terms energy: -44.464472
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -3.779
tors. eta vs tors. theta energy: -4.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -76.279495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.279495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.279495 (E_RNA)
where:
Base-Base interactions energy: -34.459
where: short stacking energy: -34.302
Base-Backbone interact. energy: -0.003
local terms energy: -41.817071
where:
bonds (distance) C4'-P energy: -8.277
bonds (distance) P-C4' energy: -9.502
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -6.864
tors. eta vs tors. theta energy: -5.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -62.206433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.206433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.206433 (E_RNA)
where:
Base-Base interactions energy: -24.095
where: short stacking energy: -24.095
Base-Backbone interact. energy: -0.235
local terms energy: -37.876690
where:
bonds (distance) C4'-P energy: -11.335
bonds (distance) P-C4' energy: -9.501
flat angles C4'-P-C4' energy: -6.404
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -2.226
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: 2
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -141.038190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.038190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.038190 (E_RNA)
where:
Base-Base interactions energy: -82.230
where: short stacking energy: -52.799
Base-Backbone interact. energy: -0.002
local terms energy: -58.805879
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -9.896
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -13.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -136.379482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.379482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.379482 (E_RNA)
where:
Base-Base interactions energy: -81.260
where: short stacking energy: -49.803
Base-Backbone interact. energy: -0.017
local terms energy: -55.103295
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -10.155
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -11.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -126.827819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.827819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.827819 (E_RNA)
where:
Base-Base interactions energy: -73.330
where: short stacking energy: -49.249
Base-Backbone interact. energy: -0.000
local terms energy: -53.497926
where:
bonds (distance) C4'-P energy: -12.511
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -7.495
flat angles P-C4'-P energy: -9.833
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: 4, replica: 9
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -92.374472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.374472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.374472 (E_RNA)
where:
Base-Base interactions energy: -41.172
where: short stacking energy: -40.807
Base-Backbone interact. energy: 0.124
local terms energy: -51.326005
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -11.318
flat angles P-C4'-P energy: -5.390
tors. eta vs tors. theta energy: -8.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -80.375574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.375574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.375574 (E_RNA)
where:
Base-Base interactions energy: -31.967
where: short stacking energy: -31.967
Base-Backbone interact. energy: -0.186
local terms energy: -48.222745
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -6.096
tors. eta vs tors. theta energy: -5.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -74.565988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.565988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.565988 (E_RNA)
where:
Base-Base interactions energy: -31.943
where: short stacking energy: -31.943
Base-Backbone interact. energy: -0.010
local terms energy: -42.612605
where:
bonds (distance) C4'-P energy: -10.942
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -9.251
flat angles P-C4'-P energy: -4.415
tors. eta vs tors. theta energy: -6.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -80.787765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.787765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.787765 (E_RNA)
where:
Base-Base interactions energy: -31.055
where: short stacking energy: -31.055
Base-Backbone interact. energy: -0.000
local terms energy: -49.732929
where:
bonds (distance) C4'-P energy: -9.733
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -10.494
flat angles P-C4'-P energy: -4.969
tors. eta vs tors. theta energy: -10.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -75.866553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.866553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.866553 (E_RNA)
where:
Base-Base interactions energy: -29.088
where: short stacking energy: -21.875
Base-Backbone interact. energy: -0.249
local terms energy: -46.529956
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -11.814
flat angles C4'-P-C4' energy: -10.673
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -4.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -68.060944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.060944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.060944 (E_RNA)
where:
Base-Base interactions energy: -24.916
where: short stacking energy: -23.143
Base-Backbone interact. energy: 0.387
local terms energy: -43.532168
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -12.724
flat angles C4'-P-C4' energy: -5.802
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -3.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -65.206648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.206648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.206648 (E_RNA)
where:
Base-Base interactions energy: -28.838
where: short stacking energy: -28.838
Base-Backbone interact. energy: -0.360
local terms energy: -36.008706
where:
bonds (distance) C4'-P energy: -9.099
bonds (distance) P-C4' energy: -6.313
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -4.811
tors. eta vs tors. theta energy: -3.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -141.354667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.354667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.354667 (E_RNA)
where:
Base-Base interactions energy: -80.957
where: short stacking energy: -55.445
Base-Backbone interact. energy: -0.008
local terms energy: -60.389922
where:
bonds (distance) C4'-P energy: -12.527
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -10.980
flat angles P-C4'-P energy: -8.759
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: 2, replica: 7
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -134.633158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.633158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.633158 (E_RNA)
where:
Base-Base interactions energy: -86.484
where: short stacking energy: -49.703
Base-Backbone interact. energy: -0.909
local terms energy: -47.239658
where:
bonds (distance) C4'-P energy: -9.469
bonds (distance) P-C4' energy: -11.716
flat angles C4'-P-C4' energy: -9.184
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: -9.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -128.997199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.997199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.997199 (E_RNA)
where:
Base-Base interactions energy: -70.833
where: short stacking energy: -45.131
Base-Backbone interact. energy: -0.007
local terms energy: -58.157546
where:
bonds (distance) C4'-P energy: -11.220
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -11.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -95.898954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.898954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.898954 (E_RNA)
where:
Base-Base interactions energy: -44.273
where: short stacking energy: -44.273
Base-Backbone interact. energy: -0.009
local terms energy: -51.617054
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -9.908
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -5.109
tors. eta vs tors. theta energy: -12.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -83.052018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.052018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.052018 (E_RNA)
where:
Base-Base interactions energy: -33.684
where: short stacking energy: -31.425
Base-Backbone interact. energy: -0.067
local terms energy: -49.301012
where:
bonds (distance) C4'-P energy: -7.862
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -6.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -74.899366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.899366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.899366 (E_RNA)
where:
Base-Base interactions energy: -39.543
where: short stacking energy: -30.165
Base-Backbone interact. energy: -0.128
local terms energy: -35.228399
where:
bonds (distance) C4'-P energy: -5.957
bonds (distance) P-C4' energy: -10.707
flat angles C4'-P-C4' energy: -6.839
flat angles P-C4'-P energy: -4.048
tors. eta vs tors. theta energy: -7.677
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: 7, replica: 10
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -77.586041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.586041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.586041 (E_RNA)
where:
Base-Base interactions energy: -32.536
where: short stacking energy: -32.536
Base-Backbone interact. energy: -0.050
local terms energy: -45.000184
where:
bonds (distance) C4'-P energy: -12.424
bonds (distance) P-C4' energy: -10.482
flat angles C4'-P-C4' energy: -8.992
flat angles P-C4'-P energy: -4.737
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: 6
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -66.214146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.214146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.214146 (E_RNA)
where:
Base-Base interactions energy: -26.676
where: short stacking energy: -26.676
Base-Backbone interact. energy: -0.080
local terms energy: -39.458373
where:
bonds (distance) C4'-P energy: -10.491
bonds (distance) P-C4' energy: -9.190
flat angles C4'-P-C4' energy: -9.032
flat angles P-C4'-P energy: -5.150
tors. eta vs tors. theta energy: -5.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -64.481463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.481463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.481463 (E_RNA)
where:
Base-Base interactions energy: -23.215
where: short stacking energy: -21.100
Base-Backbone interact. energy: -0.234
local terms energy: -41.031709
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -5.812
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -2.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -62.601885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.601885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.601885 (E_RNA)
where:
Base-Base interactions energy: -25.648
where: short stacking energy: -25.648
Base-Backbone interact. energy: -0.210
local terms energy: -36.743673
where:
bonds (distance) C4'-P energy: -10.665
bonds (distance) P-C4' energy: -9.252
flat angles C4'-P-C4' energy: -7.959
flat angles P-C4'-P energy: -4.915
tors. eta vs tors. theta energy: -3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -140.391287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.391287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.391287 (E_RNA)
where:
Base-Base interactions energy: -80.509
where: short stacking energy: -53.705
Base-Backbone interact. energy: -0.000
local terms energy: -59.881575
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -12.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -143.404111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.404111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.404111 (E_RNA)
where:
Base-Base interactions energy: -84.312
where: short stacking energy: -57.018
Base-Backbone interact. energy: -0.086
local terms energy: -59.006496
where:
bonds (distance) C4'-P energy: -11.977
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -9.638
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -15.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -125.266296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.266296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.266296 (E_RNA)
where:
Base-Base interactions energy: -72.697
where: short stacking energy: -43.144
Base-Backbone interact. energy: -0.010
local terms energy: -52.560086
where:
bonds (distance) C4'-P energy: -8.450
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -9.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -86.555503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.555503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.555503 (E_RNA)
where:
Base-Base interactions energy: -38.406
where: short stacking energy: -38.406
Base-Backbone interact. energy: -0.021
local terms energy: -48.127806
where:
bonds (distance) C4'-P energy: -10.922
bonds (distance) P-C4' energy: -10.460
flat angles C4'-P-C4' energy: -12.214
flat angles P-C4'-P energy: -4.937
tors. eta vs tors. theta energy: -9.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -81.682105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.682105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.682105 (E_RNA)
where:
Base-Base interactions energy: -37.720
where: short stacking energy: -25.314
Base-Backbone interact. energy: -0.010
local terms energy: -43.952417
where:
bonds (distance) C4'-P energy: -6.140
bonds (distance) P-C4' energy: -11.949
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -7.531
tors. eta vs tors. theta energy: -4.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -88.768556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.768556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.768556 (E_RNA)
where:
Base-Base interactions energy: -35.335
where: short stacking energy: -34.773
Base-Backbone interact. energy: -0.015
local terms energy: -53.417901
where:
bonds (distance) C4'-P energy: -11.318
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -6.447
tors. eta vs tors. theta energy: -9.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -68.208112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.208112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.208112 (E_RNA)
where:
Base-Base interactions energy: -29.214
where: short stacking energy: -21.195
Base-Backbone interact. energy: -0.131
local terms energy: -38.863189
where:
bonds (distance) C4'-P energy: -9.001
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -9.999
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: 2.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -67.605970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.605970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.605970 (E_RNA)
where:
Base-Base interactions energy: -27.057
where: short stacking energy: -25.297
Base-Backbone interact. energy: -0.155
local terms energy: -40.393659
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -9.137
flat angles C4'-P-C4' energy: -9.280
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -2.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -68.150007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.150007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.150007 (E_RNA)
where:
Base-Base interactions energy: -22.866
where: short stacking energy: -22.866
Base-Backbone interact. energy: -0.040
local terms energy: -45.244447
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -11.139
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -5.607
tors. eta vs tors. theta energy: -5.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -60.170239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.170239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.170239 (E_RNA)
where:
Base-Base interactions energy: -24.205
where: short stacking energy: -13.828
Base-Backbone interact. energy: 0.146
local terms energy: -36.111548
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -9.150
flat angles C4'-P-C4' energy: -9.882
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: 1.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -149.977628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.977628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.977628 (E_RNA)
where:
Base-Base interactions energy: -86.085
where: short stacking energy: -54.633
Base-Backbone interact. energy: -0.866
local terms energy: -63.026269
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -10.342
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: 2, replica: 2
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -144.089180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.089180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.089180 (E_RNA)
where:
Base-Base interactions energy: -88.774
where: short stacking energy: -52.054
Base-Backbone interact. energy: -0.003
local terms energy: -55.312111
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -6.232
tors. eta vs tors. theta energy: -12.725
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: 3, replica: 1
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -122.281018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.281018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.281018 (E_RNA)
where:
Base-Base interactions energy: -70.904
where: short stacking energy: -38.211
Base-Backbone interact. energy: -0.066
local terms energy: -51.311243
where:
bonds (distance) C4'-P energy: -9.899
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -11.410
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -8.678
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: 8
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -87.248975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.248975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.248975 (E_RNA)
where:
Base-Base interactions energy: -37.598
where: short stacking energy: -37.598
Base-Backbone interact. energy: -0.079
local terms energy: -49.572131
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -6.706
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -6.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -85.137911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.137911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.137911 (E_RNA)
where:
Base-Base interactions energy: -33.913
where: short stacking energy: -33.228
Base-Backbone interact. energy: -0.143
local terms energy: -51.081929
where:
bonds (distance) C4'-P energy: -10.105
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -6.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -74.821830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.821830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.821830 (E_RNA)
where:
Base-Base interactions energy: -34.319
where: short stacking energy: -33.824
Base-Backbone interact. energy: -0.040
local terms energy: -40.462597
where:
bonds (distance) C4'-P energy: -7.849
bonds (distance) P-C4' energy: -10.206
flat angles C4'-P-C4' energy: -8.925
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -6.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -71.210161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.210161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.210161 (E_RNA)
where:
Base-Base interactions energy: -27.982
where: short stacking energy: -27.982
Base-Backbone interact. energy: -0.062
local terms energy: -43.165832
where:
bonds (distance) C4'-P energy: -11.596
bonds (distance) P-C4' energy: -10.586
flat angles C4'-P-C4' energy: -10.021
flat angles P-C4'-P energy: -3.883
tors. eta vs tors. theta energy: -7.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -70.191023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.191023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.191023 (E_RNA)
where:
Base-Base interactions energy: -22.109
where: short stacking energy: -22.109
Base-Backbone interact. energy: -0.012
local terms energy: -48.070042
where:
bonds (distance) C4'-P energy: -10.913
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -9.310
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -5.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -72.348772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.348772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.348772 (E_RNA)
where:
Base-Base interactions energy: -31.233
where: short stacking energy: -21.058
Base-Backbone interact. energy: -0.224
local terms energy: -40.891900
where:
bonds (distance) C4'-P energy: -10.470
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -10.331
flat angles P-C4'-P energy: -4.323
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: 10, replica: 5
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -65.963237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.963237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.963237 (E_RNA)
where:
Base-Base interactions energy: -26.849
where: short stacking energy: -26.849
Base-Backbone interact. energy: -0.098
local terms energy: -39.015540
where:
bonds (distance) C4'-P energy: -9.707
bonds (distance) P-C4' energy: -7.431
flat angles C4'-P-C4' energy: -11.321
flat angles P-C4'-P energy: -6.236
tors. eta vs tors. theta energy: -4.321
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: 1, replica: 2
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -140.701325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.701325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.701325 (E_RNA)
where:
Base-Base interactions energy: -82.338
where: short stacking energy: -54.063
Base-Backbone interact. energy: 0.899
local terms energy: -59.262219
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -12.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -128.602426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.602426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.602426 (E_RNA)
where:
Base-Base interactions energy: -72.439
where: short stacking energy: -53.996
Base-Backbone interact. energy: -0.000
local terms energy: -56.163453
where:
bonds (distance) C4'-P energy: -8.184
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -5.848
tors. eta vs tors. theta energy: -15.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -134.472847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.472847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.472847 (E_RNA)
where:
Base-Base interactions energy: -81.621
where: short stacking energy: -47.451
Base-Backbone interact. energy: -0.024
local terms energy: -52.827891
where:
bonds (distance) C4'-P energy: -10.001
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -11.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -102.475361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.475361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.475361 (E_RNA)
where:
Base-Base interactions energy: -49.219
where: short stacking energy: -49.219
Base-Backbone interact. energy: -0.036
local terms energy: -53.220390
where:
bonds (distance) C4'-P energy: -11.538
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -4.436
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: 6
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -91.825632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.825632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.825632 (E_RNA)
where:
Base-Base interactions energy: -39.929
where: short stacking energy: -34.297
Base-Backbone interact. energy: -0.100
local terms energy: -51.797350
where:
bonds (distance) C4'-P energy: -12.714
bonds (distance) P-C4' energy: -10.772
flat angles C4'-P-C4' energy: -9.384
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -12.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -81.229866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.229866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.229866 (E_RNA)
where:
Base-Base interactions energy: -41.385
where: short stacking energy: -20.351
Base-Backbone interact. energy: -0.084
local terms energy: -39.760862
where:
bonds (distance) C4'-P energy: -10.768
bonds (distance) P-C4' energy: -11.314
flat angles C4'-P-C4' energy: -8.572
flat angles P-C4'-P energy: -7.484
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: 7, replica: 9
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -81.484105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.484105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.484105 (E_RNA)
where:
Base-Base interactions energy: -37.317
where: short stacking energy: -24.990
Base-Backbone interact. energy: -0.188
local terms energy: -43.979975
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -11.547
flat angles C4'-P-C4' energy: -9.969
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: -2.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -75.196168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.196168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.196168 (E_RNA)
where:
Base-Base interactions energy: -33.135
where: short stacking energy: -15.998
Base-Backbone interact. energy: 0.447
local terms energy: -42.508784
where:
bonds (distance) C4'-P energy: -10.581
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -10.607
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -1.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -61.254686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.254686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.254686 (E_RNA)
where:
Base-Base interactions energy: -22.091
where: short stacking energy: -22.091
Base-Backbone interact. energy: -0.149
local terms energy: -39.014237
where:
bonds (distance) C4'-P energy: -10.888
bonds (distance) P-C4' energy: -10.188
flat angles C4'-P-C4' energy: -10.761
flat angles P-C4'-P energy: -5.524
tors. eta vs tors. theta energy: -1.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -68.533828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.533828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.533828 (E_RNA)
where:
Base-Base interactions energy: -22.380
where: short stacking energy: -22.380
Base-Backbone interact. energy: -0.002
local terms energy: -46.151731
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -8.498
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -4.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -135.060196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.060196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.060196 (E_RNA)
where:
Base-Base interactions energy: -78.013
where: short stacking energy: -40.219
Base-Backbone interact. energy: -0.099
local terms energy: -56.948104
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -11.457
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -13.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -110.471148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.471148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.471148 (E_RNA)
where:
Base-Base interactions energy: -60.457
where: short stacking energy: -37.492
Base-Backbone interact. energy: -0.231
local terms energy: -49.783770
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -10.328
flat angles C4'-P-C4' energy: -10.727
flat angles P-C4'-P energy: -7.143
tors. eta vs tors. theta energy: -9.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -125.033070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.033070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.033070 (E_RNA)
where:
Base-Base interactions energy: -62.563
where: short stacking energy: -45.786
Base-Backbone interact. energy: -0.002
local terms energy: -62.468110
where:
bonds (distance) C4'-P energy: -11.964
bonds (distance) P-C4' energy: -11.696
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -10.017
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: 4, replica: 6
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -113.058986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.058986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.058986 (E_RNA)
where:
Base-Base interactions energy: -57.157
where: short stacking energy: -31.297
Base-Backbone interact. energy: -0.035
local terms energy: -55.866719
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -3.853
tors. eta vs tors. theta energy: -12.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -95.884817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.884817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.884817 (E_RNA)
where:
Base-Base interactions energy: -41.015
where: short stacking energy: -36.023
Base-Backbone interact. energy: -0.015
local terms energy: -54.854652
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -10.337
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -6.679
tors. eta vs tors. theta energy: -12.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -74.467940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.467940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.467940 (E_RNA)
where:
Base-Base interactions energy: -33.602
where: short stacking energy: -28.735
Base-Backbone interact. energy: -0.070
local terms energy: -40.795978
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -10.912
flat angles P-C4'-P energy: -4.428
tors. eta vs tors. theta energy: -3.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -61.073432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.073432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.073432 (E_RNA)
where:
Base-Base interactions energy: -22.467
where: short stacking energy: -21.692
Base-Backbone interact. energy: -0.028
local terms energy: -38.578220
where:
bonds (distance) C4'-P energy: -8.329
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -3.395
tors. eta vs tors. theta energy: -1.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -72.106301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.106301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.106301 (E_RNA)
where:
Base-Base interactions energy: -27.162
where: short stacking energy: -27.162
Base-Backbone interact. energy: -0.040
local terms energy: -44.904027
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -4.615
tors. eta vs tors. theta energy: -4.686
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: 5
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -66.518151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.518151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.518151 (E_RNA)
where:
Base-Base interactions energy: -20.220
where: short stacking energy: -20.220
Base-Backbone interact. energy: -0.046
local terms energy: -46.252604
where:
bonds (distance) C4'-P energy: -11.816
bonds (distance) P-C4' energy: -11.307
flat angles C4'-P-C4' energy: -8.233
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -4.517
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: 475
Temperature: 1.350000
Total energy: -62.429307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.429307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.429307 (E_RNA)
where:
Base-Base interactions energy: -23.086
where: short stacking energy: -23.086
Base-Backbone interact. energy: -0.183
local terms energy: -39.160538
where:
bonds (distance) C4'-P energy: -10.594
bonds (distance) P-C4' energy: -9.266
flat angles C4'-P-C4' energy: -11.286
flat angles P-C4'-P energy: -4.656
tors. eta vs tors. theta energy: -3.358
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: 1
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -130.349473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.349473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.349473 (E_RNA)
where:
Base-Base interactions energy: -68.742
where: short stacking energy: -54.109
Base-Backbone interact. energy: -0.366
local terms energy: -61.242131
where:
bonds (distance) C4'-P energy: -12.494
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -11.213
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -15.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -137.244176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.244176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.244176 (E_RNA)
where:
Base-Base interactions energy: -84.868
where: short stacking energy: -49.837
Base-Backbone interact. energy: -0.004
local terms energy: -52.371963
where:
bonds (distance) C4'-P energy: -8.657
bonds (distance) P-C4' energy: -11.176
flat angles C4'-P-C4' energy: -10.716
flat angles P-C4'-P energy: -7.217
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: 3, replica: 6
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -89.785195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.785195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.785195 (E_RNA)
where:
Base-Base interactions energy: -40.416
where: short stacking energy: -40.416
Base-Backbone interact. energy: -0.000
local terms energy: -49.369584
where:
bonds (distance) C4'-P energy: -10.793
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -11.878
flat angles P-C4'-P energy: -4.072
tors. eta vs tors. theta energy: -9.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -113.242691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.242691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.242691 (E_RNA)
where:
Base-Base interactions energy: -56.769
where: short stacking energy: -41.398
Base-Backbone interact. energy: -0.003
local terms energy: -56.470862
where:
bonds (distance) C4'-P energy: -10.317
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -12.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -84.510194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.510194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.510194 (E_RNA)
where:
Base-Base interactions energy: -37.980
where: short stacking energy: -37.980
Base-Backbone interact. energy: -0.014
local terms energy: -46.515815
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -9.357
flat angles P-C4'-P energy: -5.063
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: 6, replica: 8
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -94.860586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.860586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.860586 (E_RNA)
where:
Base-Base interactions energy: -42.652
where: short stacking energy: -42.652
Base-Backbone interact. energy: -0.001
local terms energy: -52.207557
where:
bonds (distance) C4'-P energy: -7.029
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -5.676
tors. eta vs tors. theta energy: -14.949
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: 7, replica: 3
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -67.739996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.739996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.739996 (E_RNA)
where:
Base-Base interactions energy: -23.493
where: short stacking energy: -23.323
Base-Backbone interact. energy: 1.030
local terms energy: -45.277721
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: -3.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -74.601875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.601875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.601875 (E_RNA)
where:
Base-Base interactions energy: -26.276
where: short stacking energy: -26.276
Base-Backbone interact. energy: -0.038
local terms energy: -48.288626
where:
bonds (distance) C4'-P energy: -9.095
bonds (distance) P-C4' energy: -10.092
flat angles C4'-P-C4' energy: -9.992
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -11.004
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: 5
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -60.036660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.036660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.036660 (E_RNA)
where:
Base-Base interactions energy: -17.544
where: short stacking energy: -17.544
Base-Backbone interact. energy: 0.108
local terms energy: -42.600643
where:
bonds (distance) C4'-P energy: -7.952
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -8.768
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -5.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -66.087138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.087138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.087138 (E_RNA)
where:
Base-Base interactions energy: -24.154
where: short stacking energy: -24.055
Base-Backbone interact. energy: -0.050
local terms energy: -41.883626
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -9.062
flat angles C4'-P-C4' energy: -7.587
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -6.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -138.802628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.802628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.802628 (E_RNA)
where:
Base-Base interactions energy: -76.999
where: short stacking energy: -55.344
Base-Backbone interact. energy: -0.005
local terms energy: -61.798327
where:
bonds (distance) C4'-P energy: -11.857
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -15.693
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: 477
Temperature: 0.950000
Total energy: -138.381261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.381261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.381261 (E_RNA)
where:
Base-Base interactions energy: -83.807
where: short stacking energy: -44.281
Base-Backbone interact. energy: -0.004
local terms energy: -54.570343
where:
bonds (distance) C4'-P energy: -9.808
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -11.261
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -13.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -94.843608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.843608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.843608 (E_RNA)
where:
Base-Base interactions energy: -43.503
where: short stacking energy: -42.580
Base-Backbone interact. energy: -0.172
local terms energy: -51.168573
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -5.713
tors. eta vs tors. theta energy: -8.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -94.661172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.661172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.661172 (E_RNA)
where:
Base-Base interactions energy: -47.546
where: short stacking energy: -46.507
Base-Backbone interact. energy: -0.008
local terms energy: -47.106503
where:
bonds (distance) C4'-P energy: -9.208
bonds (distance) P-C4' energy: -7.510
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -4.414
tors. eta vs tors. theta energy: -14.050
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: 7
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -73.571817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.571817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.571817 (E_RNA)
where:
Base-Base interactions energy: -24.881
where: short stacking energy: -23.786
Base-Backbone interact. energy: -0.148
local terms energy: -48.543023
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -9.190
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: -5.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -80.361070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.361070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.361070 (E_RNA)
where:
Base-Base interactions energy: -32.226
where: short stacking energy: -32.226
Base-Backbone interact. energy: -0.052
local terms energy: -48.082907
where:
bonds (distance) C4'-P energy: -9.790
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -5.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -78.773674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.773674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.773674 (E_RNA)
where:
Base-Base interactions energy: -38.541
where: short stacking energy: -29.966
Base-Backbone interact. energy: 0.150
local terms energy: -40.382581
where:
bonds (distance) C4'-P energy: -8.165
bonds (distance) P-C4' energy: -8.125
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -6.551
tors. eta vs tors. theta energy: -4.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -75.704957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.704957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.704957 (E_RNA)
where:
Base-Base interactions energy: -29.281
where: short stacking energy: -29.281
Base-Backbone interact. energy: 1.398
local terms energy: -47.821483
where:
bonds (distance) C4'-P energy: -9.314
bonds (distance) P-C4' energy: -11.119
flat angles C4'-P-C4' energy: -12.005
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -7.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -69.797232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.797232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.797232 (E_RNA)
where:
Base-Base interactions energy: -30.599
where: short stacking energy: -24.530
Base-Backbone interact. energy: -0.033
local terms energy: -39.165270
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: 0.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -66.507490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.507490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.507490 (E_RNA)
where:
Base-Base interactions energy: -22.272
where: short stacking energy: -21.139
Base-Backbone interact. energy: -0.039
local terms energy: -44.196582
where:
bonds (distance) C4'-P energy: -11.025
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -9.297
flat angles P-C4'-P energy: -6.070
tors. eta vs tors. theta energy: -6.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -134.351460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.351460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.351460 (E_RNA)
where:
Base-Base interactions energy: -74.726
where: short stacking energy: -43.396
Base-Backbone interact. energy: -0.026
local terms energy: -59.599978
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -11.107
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -13.868
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: 1
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -129.505259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.505259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.505259 (E_RNA)
where:
Base-Base interactions energy: -71.541
where: short stacking energy: -49.976
Base-Backbone interact. energy: -0.211
local terms energy: -57.753653
where:
bonds (distance) C4'-P energy: -7.920
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -9.421
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: 3, replica: 9
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -92.517238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.517238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.517238 (E_RNA)
where:
Base-Base interactions energy: -42.954
where: short stacking energy: -42.954
Base-Backbone interact. energy: -0.002
local terms energy: -49.561787
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -10.700
flat angles C4'-P-C4' energy: -9.858
flat angles P-C4'-P energy: -6.569
tors. eta vs tors. theta energy: -10.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -89.823507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.823507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.823507 (E_RNA)
where:
Base-Base interactions energy: -37.541
where: short stacking energy: -37.541
Base-Backbone interact. energy: -0.000
local terms energy: -52.282361
where:
bonds (distance) C4'-P energy: -10.801
bonds (distance) P-C4' energy: -9.661
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -11.139
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: 3
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -79.875133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.875133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.875133 (E_RNA)
where:
Base-Base interactions energy: -42.179
where: short stacking energy: -32.985
Base-Backbone interact. energy: -0.213
local terms energy: -37.483143
where:
bonds (distance) C4'-P energy: -8.255
bonds (distance) P-C4' energy: -7.426
flat angles C4'-P-C4' energy: -11.023
flat angles P-C4'-P energy: -7.250
tors. eta vs tors. theta energy: -3.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -71.959879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.959879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.959879 (E_RNA)
where:
Base-Base interactions energy: -27.395
where: short stacking energy: -27.395
Base-Backbone interact. energy: 1.094
local terms energy: -45.658258
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -11.445
flat angles P-C4'-P energy: -5.705
tors. eta vs tors. theta energy: -4.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -72.739802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.739802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.739802 (E_RNA)
where:
Base-Base interactions energy: -29.129
where: short stacking energy: -28.400
Base-Backbone interact. energy: -0.047
local terms energy: -43.564211
where:
bonds (distance) C4'-P energy: -7.191
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -10.278
flat angles P-C4'-P energy: -3.850
tors. eta vs tors. theta energy: -10.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -67.149604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.149604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.149604 (E_RNA)
where:
Base-Base interactions energy: -23.532
where: short stacking energy: -23.532
Base-Backbone interact. energy: 0.016
local terms energy: -43.633862
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -9.284
flat angles P-C4'-P energy: -3.801
tors. eta vs tors. theta energy: -2.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -68.393721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.393721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.393721 (E_RNA)
where:
Base-Base interactions energy: -26.360
where: short stacking energy: -26.360
Base-Backbone interact. energy: -0.006
local terms energy: -42.028063
where:
bonds (distance) C4'-P energy: -10.077
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -8.074
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -2.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -63.545133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.545133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.545133 (E_RNA)
where:
Base-Base interactions energy: -20.003
where: short stacking energy: -21.133
Base-Backbone interact. energy: -0.017
local terms energy: -43.525383
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -8.734
flat angles C4'-P-C4' energy: -8.044
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -5.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -140.282775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.282775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.282775 (E_RNA)
where:
Base-Base interactions energy: -85.460
where: short stacking energy: -49.452
Base-Backbone interact. energy: -0.105
local terms energy: -54.717640
where:
bonds (distance) C4'-P energy: -10.106
bonds (distance) P-C4' energy: -11.838
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -5.530
tors. eta vs tors. theta energy: -14.847
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: 9
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -109.357482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.357482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.357482 (E_RNA)
where:
Base-Base interactions energy: -55.731
where: short stacking energy: -55.731
Base-Backbone interact. energy: -0.028
local terms energy: -53.597864
where:
bonds (distance) C4'-P energy: -8.599
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -11.803
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -13.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -119.225212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.225212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.225212 (E_RNA)
where:
Base-Base interactions energy: -66.547
where: short stacking energy: -42.601
Base-Backbone interact. energy: -0.010
local terms energy: -52.668115
where:
bonds (distance) C4'-P energy: -11.513
bonds (distance) P-C4' energy: -11.712
flat angles C4'-P-C4' energy: -9.980
flat angles P-C4'-P energy: -6.742
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: 4, replica: 6
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -91.490276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.490276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.490276 (E_RNA)
where:
Base-Base interactions energy: -42.828
where: short stacking energy: -36.114
Base-Backbone interact. energy: -0.125
local terms energy: -48.536942
where:
bonds (distance) C4'-P energy: -13.256
bonds (distance) P-C4' energy: -10.742
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -4.026
tors. eta vs tors. theta energy: -7.538
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: 3
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -80.110963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.110963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.110963 (E_RNA)
where:
Base-Base interactions energy: -32.745
where: short stacking energy: -32.745
Base-Backbone interact. energy: -0.154
local terms energy: -47.211869
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -10.449
flat angles C4'-P-C4' energy: -8.200
flat angles P-C4'-P energy: -6.999
tors. eta vs tors. theta energy: -9.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -68.530103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.530103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.530103 (E_RNA)
where:
Base-Base interactions energy: -26.308
where: short stacking energy: -24.872
Base-Backbone interact. energy: 0.061
local terms energy: -42.282805
where:
bonds (distance) C4'-P energy: -8.086
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -9.846
flat angles P-C4'-P energy: -7.047
tors. eta vs tors. theta energy: -4.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -68.645656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.645656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.645656 (E_RNA)
where:
Base-Base interactions energy: -26.507
where: short stacking energy: -26.507
Base-Backbone interact. energy: -0.134
local terms energy: -42.005290
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -10.662
flat angles P-C4'-P energy: -5.449
tors. eta vs tors. theta energy: -0.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -62.991911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.991911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.991911 (E_RNA)
where:
Base-Base interactions energy: -25.611
where: short stacking energy: -25.611
Base-Backbone interact. energy: -0.030
local terms energy: -37.350606
where:
bonds (distance) C4'-P energy: -9.224
bonds (distance) P-C4' energy: -8.777
flat angles C4'-P-C4' energy: -9.544
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -0.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -61.439172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.439172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.439172 (E_RNA)
where:
Base-Base interactions energy: -30.073
where: short stacking energy: -22.362
Base-Backbone interact. energy: 0.518
local terms energy: -31.884336
where:
bonds (distance) C4'-P energy: -9.824
bonds (distance) P-C4' energy: -2.495
flat angles C4'-P-C4' energy: -9.803
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -2.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -56.024219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.024219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.024219 (E_RNA)
where:
Base-Base interactions energy: -17.403
where: short stacking energy: -8.071
Base-Backbone interact. energy: -0.123
local terms energy: -38.498496
where:
bonds (distance) C4'-P energy: -8.674
bonds (distance) P-C4' energy: -11.838
flat angles C4'-P-C4' energy: -10.833
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: 2.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -141.365170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.365170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.365170 (E_RNA)
where:
Base-Base interactions energy: -82.707
where: short stacking energy: -47.151
Base-Backbone interact. energy: -0.169
local terms energy: -58.489090
where:
bonds (distance) C4'-P energy: -10.395
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -5.490
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: 2, replica: 9
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -110.718218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.718218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.718218 (E_RNA)
where:
Base-Base interactions energy: -52.605
where: short stacking energy: -52.605
Base-Backbone interact. energy: -0.008
local terms energy: -58.105612
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -13.162
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -11.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -127.404562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.404562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.404562 (E_RNA)
where:
Base-Base interactions energy: -73.043
where: short stacking energy: -48.592
Base-Backbone interact. energy: -0.009
local terms energy: -54.352939
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -7.733
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -13.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -96.740491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.740491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.740491 (E_RNA)
where:
Base-Base interactions energy: -47.852
where: short stacking energy: -47.852
Base-Backbone interact. energy: -0.011
local terms energy: -48.877329
where:
bonds (distance) C4'-P energy: -8.759
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -11.200
flat angles P-C4'-P energy: -5.904
tors. eta vs tors. theta energy: -10.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -84.956505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.956505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.956505 (E_RNA)
where:
Base-Base interactions energy: -38.983
where: short stacking energy: -38.983
Base-Backbone interact. energy: -0.000
local terms energy: -45.973857
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -9.265
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -6.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -73.032851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.032851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.032851 (E_RNA)
where:
Base-Base interactions energy: -26.139
where: short stacking energy: -26.139
Base-Backbone interact. energy: -0.130
local terms energy: -46.764018
where:
bonds (distance) C4'-P energy: -12.780
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -10.839
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -3.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -80.506492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.506492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.506492 (E_RNA)
where:
Base-Base interactions energy: -36.588
where: short stacking energy: -33.193
Base-Backbone interact. energy: -0.166
local terms energy: -43.753001
where:
bonds (distance) C4'-P energy: -7.870
bonds (distance) P-C4' energy: -10.090
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -6.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -66.163899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.163899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.163899 (E_RNA)
where:
Base-Base interactions energy: -28.335
where: short stacking energy: -28.013
Base-Backbone interact. energy: -0.145
local terms energy: -37.683718
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -9.002
flat angles C4'-P-C4' energy: -6.793
flat angles P-C4'-P energy: -6.231
tors. eta vs tors. theta energy: -3.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -67.103145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.103145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.103145 (E_RNA)
where:
Base-Base interactions energy: -30.388
where: short stacking energy: -30.388
Base-Backbone interact. energy: 1.332
local terms energy: -38.047208
where:
bonds (distance) C4'-P energy: -6.329
bonds (distance) P-C4' energy: -10.595
flat angles C4'-P-C4' energy: -7.937
flat angles P-C4'-P energy: -5.721
tors. eta vs tors. theta energy: -7.465
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: 480
Temperature: 1.350000
Total energy: -61.197347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.197347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.197347 (E_RNA)
where:
Base-Base interactions energy: -33.576
where: short stacking energy: -20.549
Base-Backbone interact. energy: -0.026
local terms energy: -27.594755
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -4.277
flat angles C4'-P-C4' energy: -8.810
flat angles P-C4'-P energy: -0.746
tors. eta vs tors. theta energy: -0.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -143.168142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.168142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.168142 (E_RNA)
where:
Base-Base interactions energy: -82.684
where: short stacking energy: -47.471
Base-Backbone interact. energy: -0.006
local terms energy: -60.477859
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -7.111
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: 2, replica: 1
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -130.092642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.092642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.092642 (E_RNA)
where:
Base-Base interactions energy: -73.686
where: short stacking energy: -44.094
Base-Backbone interact. energy: -0.140
local terms energy: -56.266991
where:
bonds (distance) C4'-P energy: -9.981
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -6.406
tors. eta vs tors. theta energy: -11.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -102.098469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.098469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.098469 (E_RNA)
where:
Base-Base interactions energy: -46.156
where: short stacking energy: -42.034
Base-Backbone interact. energy: -0.093
local terms energy: -55.849318
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -3.057
tors. eta vs tors. theta energy: -12.780
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: 481
Temperature: 1.050000
Total energy: -95.454828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.454828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.454828 (E_RNA)
where:
Base-Base interactions energy: -45.919
where: short stacking energy: -41.896
Base-Backbone interact. energy: -0.377
local terms energy: -49.158268
where:
bonds (distance) C4'-P energy: -8.740
bonds (distance) P-C4' energy: -12.178
flat angles C4'-P-C4' energy: -10.834
flat angles P-C4'-P energy: -5.379
tors. eta vs tors. theta energy: -12.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -86.523655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.523655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.523655 (E_RNA)
where:
Base-Base interactions energy: -40.720
where: short stacking energy: -40.720
Base-Backbone interact. energy: -0.049
local terms energy: -45.754489
where:
bonds (distance) C4'-P energy: -8.168
bonds (distance) P-C4' energy: -10.874
flat angles C4'-P-C4' energy: -10.864
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -7.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -79.330494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.330494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.330494 (E_RNA)
where:
Base-Base interactions energy: -29.077
where: short stacking energy: -29.077
Base-Backbone interact. energy: -0.069
local terms energy: -50.183931
where:
bonds (distance) C4'-P energy: -10.190
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -7.434
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -8.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -69.473282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.473282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.473282 (E_RNA)
where:
Base-Base interactions energy: -23.975
where: short stacking energy: -23.975
Base-Backbone interact. energy: -0.441
local terms energy: -45.057409
where:
bonds (distance) C4'-P energy: -11.964
bonds (distance) P-C4' energy: -12.166
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -5.672
tors. eta vs tors. theta energy: -3.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -70.151194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.151194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.151194 (E_RNA)
where:
Base-Base interactions energy: -24.407
where: short stacking energy: -24.407
Base-Backbone interact. energy: -0.133
local terms energy: -45.610611
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -10.761
flat angles P-C4'-P energy: -5.707
tors. eta vs tors. theta energy: -5.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -61.934069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.934069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.934069 (E_RNA)
where:
Base-Base interactions energy: -31.339
where: short stacking energy: -20.475
Base-Backbone interact. energy: 0.652
local terms energy: -31.246633
where:
bonds (distance) C4'-P energy: -8.557
bonds (distance) P-C4' energy: -10.010
flat angles C4'-P-C4' energy: -11.427
flat angles P-C4'-P energy: -0.643
tors. eta vs tors. theta energy: -0.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -82.674844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.674844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.674844 (E_RNA)
where:
Base-Base interactions energy: -33.598
where: short stacking energy: -29.009
Base-Backbone interact. energy: -0.242
local terms energy: -48.835144
where:
bonds (distance) C4'-P energy: -10.891
bonds (distance) P-C4' energy: -10.055
flat angles C4'-P-C4' energy: -11.368
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -10.203
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: 1
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -135.765643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.765643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.765643 (E_RNA)
where:
Base-Base interactions energy: -78.599
where: short stacking energy: -45.869
Base-Backbone interact. energy: -0.042
local terms energy: -57.124622
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -13.007
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: 2
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -130.067183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.067183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.067183 (E_RNA)
where:
Base-Base interactions energy: -80.713
where: short stacking energy: -50.090
Base-Backbone interact. energy: -0.003
local terms energy: -49.351858
where:
bonds (distance) C4'-P energy: -9.059
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -11.007
flat angles P-C4'-P energy: -6.941
tors. eta vs tors. theta energy: -11.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -101.458776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.458776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.458776 (E_RNA)
where:
Base-Base interactions energy: -46.885
where: short stacking energy: -46.885
Base-Backbone interact. energy: -0.091
local terms energy: -54.483324
where:
bonds (distance) C4'-P energy: -9.122
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: -10.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -95.531714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.531714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.531714 (E_RNA)
where:
Base-Base interactions energy: -47.956
where: short stacking energy: -31.467
Base-Backbone interact. energy: -0.559
local terms energy: -47.016711
where:
bonds (distance) C4'-P energy: -9.438
bonds (distance) P-C4' energy: -11.072
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -5.020
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: 5, replica: 6
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -94.596118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.596118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.596118 (E_RNA)
where:
Base-Base interactions energy: -45.944
where: short stacking energy: -45.944
Base-Backbone interact. energy: -0.001
local terms energy: -48.651402
where:
bonds (distance) C4'-P energy: -10.081
bonds (distance) P-C4' energy: -10.841
flat angles C4'-P-C4' energy: -12.027
flat angles P-C4'-P energy: -5.569
tors. eta vs tors. theta energy: -10.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -77.370380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.370380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.370380 (E_RNA)
where:
Base-Base interactions energy: -37.017
where: short stacking energy: -28.614
Base-Backbone interact. energy: -0.275
local terms energy: -40.078224
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -11.378
flat angles C4'-P-C4' energy: -8.437
flat angles P-C4'-P energy: -6.555
tors. eta vs tors. theta energy: -0.286
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: 4
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -77.334157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.334157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.334157 (E_RNA)
where:
Base-Base interactions energy: -34.604
where: short stacking energy: -33.062
Base-Backbone interact. energy: -0.154
local terms energy: -42.576167
where:
bonds (distance) C4'-P energy: -7.981
bonds (distance) P-C4' energy: -8.049
flat angles C4'-P-C4' energy: -11.346
flat angles P-C4'-P energy: -5.375
tors. eta vs tors. theta energy: -9.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -70.468728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.468728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.468728 (E_RNA)
where:
Base-Base interactions energy: -24.045
where: short stacking energy: -24.045
Base-Backbone interact. energy: -0.004
local terms energy: -46.419251
where:
bonds (distance) C4'-P energy: -11.227
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -9.003
flat angles P-C4'-P energy: -5.655
tors. eta vs tors. theta energy: -8.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -65.666812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.666812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.666812 (E_RNA)
where:
Base-Base interactions energy: -20.270
where: short stacking energy: -20.270
Base-Backbone interact. energy: -0.173
local terms energy: -45.223737
where:
bonds (distance) C4'-P energy: -10.189
bonds (distance) P-C4' energy: -10.936
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -1.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -60.736265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.736265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.736265 (E_RNA)
where:
Base-Base interactions energy: -24.236
where: short stacking energy: -24.236
Base-Backbone interact. energy: -0.052
local terms energy: -36.448036
where:
bonds (distance) C4'-P energy: -8.752
bonds (distance) P-C4' energy: -7.265
flat angles C4'-P-C4' energy: -7.892
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -5.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -142.468727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.468727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.468727 (E_RNA)
where:
Base-Base interactions energy: -80.090
where: short stacking energy: -53.928
Base-Backbone interact. energy: -0.032
local terms energy: -62.346805
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -11.871
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -16.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -128.522442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.522442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.522442 (E_RNA)
where:
Base-Base interactions energy: -72.437
where: short stacking energy: -41.500
Base-Backbone interact. energy: -0.135
local terms energy: -55.950682
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -11.810
flat angles C4'-P-C4' energy: -10.704
flat angles P-C4'-P energy: -6.938
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: 3, replica: 9
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -97.810226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.810226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.810226 (E_RNA)
where:
Base-Base interactions energy: -45.090
where: short stacking energy: -45.090
Base-Backbone interact. energy: -0.059
local terms energy: -52.661171
where:
bonds (distance) C4'-P energy: -11.584
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -7.066
tors. eta vs tors. theta energy: -8.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -87.736236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.736236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.736236 (E_RNA)
where:
Base-Base interactions energy: -36.803
where: short stacking energy: -36.803
Base-Backbone interact. energy: -0.101
local terms energy: -50.832671
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -10.817
flat angles C4'-P-C4' energy: -10.973
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -8.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -85.224779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.224779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.224779 (E_RNA)
where:
Base-Base interactions energy: -31.382
where: short stacking energy: -26.260
Base-Backbone interact. energy: -0.431
local terms energy: -53.411868
where:
bonds (distance) C4'-P energy: -11.025
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -8.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -79.754533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.754533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.754533 (E_RNA)
where:
Base-Base interactions energy: -31.117
where: short stacking energy: -31.117
Base-Backbone interact. energy: -0.332
local terms energy: -48.305200
where:
bonds (distance) C4'-P energy: -9.413
bonds (distance) P-C4' energy: -11.845
flat angles C4'-P-C4' energy: -10.452
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -6.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -76.935352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.935352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.935352 (E_RNA)
where:
Base-Base interactions energy: -32.784
where: short stacking energy: -32.784
Base-Backbone interact. energy: -0.056
local terms energy: -44.095658
where:
bonds (distance) C4'-P energy: -9.844
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -9.187
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -6.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -73.936855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.936855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.936855 (E_RNA)
where:
Base-Base interactions energy: -28.954
where: short stacking energy: -28.954
Base-Backbone interact. energy: -0.057
local terms energy: -44.925542
where:
bonds (distance) C4'-P energy: -11.099
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -4.274
tors. eta vs tors. theta energy: -2.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -60.523212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.523212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.523212 (E_RNA)
where:
Base-Base interactions energy: -25.214
where: short stacking energy: -25.214
Base-Backbone interact. energy: -0.004
local terms energy: -35.305310
where:
bonds (distance) C4'-P energy: -9.013
bonds (distance) P-C4' energy: -7.862
flat angles C4'-P-C4' energy: -8.676
flat angles P-C4'-P energy: -4.415
tors. eta vs tors. theta energy: -5.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -65.127009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.127009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.127009 (E_RNA)
where:
Base-Base interactions energy: -19.885
where: short stacking energy: -19.885
Base-Backbone interact. energy: -0.038
local terms energy: -45.204335
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -11.028
flat angles C4'-P-C4' energy: -8.535
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -4.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -136.269275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.269275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.269275 (E_RNA)
where:
Base-Base interactions energy: -79.189
where: short stacking energy: -47.459
Base-Backbone interact. energy: -0.027
local terms energy: -57.052978
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -11.499
flat angles P-C4'-P energy: -6.932
tors. eta vs tors. theta energy: -13.467
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: 1
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -135.713611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.713611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.713611 (E_RNA)
where:
Base-Base interactions energy: -77.337
where: short stacking energy: -47.466
Base-Backbone interact. energy: -0.044
local terms energy: -58.332558
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -12.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -90.320706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.320706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.320706 (E_RNA)
where:
Base-Base interactions energy: -44.137
where: short stacking energy: -44.137
Base-Backbone interact. energy: -0.005
local terms energy: -46.178658
where:
bonds (distance) C4'-P energy: -8.519
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -11.290
flat angles P-C4'-P energy: -4.617
tors. eta vs tors. theta energy: -8.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -100.086539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.086539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.086539 (E_RNA)
where:
Base-Base interactions energy: -45.468
where: short stacking energy: -45.468
Base-Backbone interact. energy: -0.002
local terms energy: -54.616317
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -10.409
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: -11.126
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: 4
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -92.582470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.582470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.582470 (E_RNA)
where:
Base-Base interactions energy: -36.894
where: short stacking energy: -36.894
Base-Backbone interact. energy: -0.321
local terms energy: -55.366573
where:
bonds (distance) C4'-P energy: -8.821
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -12.144
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: 3
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -92.079318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.079318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.079318 (E_RNA)
where:
Base-Base interactions energy: -40.271
where: short stacking energy: -39.681
Base-Backbone interact. energy: -0.024
local terms energy: -51.783760
where:
bonds (distance) C4'-P energy: -9.162
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -7.288
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: 7, replica: 8
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -76.231347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.231347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.231347 (E_RNA)
where:
Base-Base interactions energy: -28.180
where: short stacking energy: -28.180
Base-Backbone interact. energy: -0.192
local terms energy: -47.858950
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -11.312
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -4.971
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: 5
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -65.385750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.385750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.385750 (E_RNA)
where:
Base-Base interactions energy: -26.447
where: short stacking energy: -24.505
Base-Backbone interact. energy: 0.171
local terms energy: -39.109659
where:
bonds (distance) C4'-P energy: -9.543
bonds (distance) P-C4' energy: -9.224
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -4.181
tors. eta vs tors. theta energy: -4.145
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: 7
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -64.311707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.311707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.311707 (E_RNA)
where:
Base-Base interactions energy: -21.446
where: short stacking energy: -21.446
Base-Backbone interact. energy: -0.004
local terms energy: -42.862231
where:
bonds (distance) C4'-P energy: -10.893
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -10.672
flat angles P-C4'-P energy: -5.641
tors. eta vs tors. theta energy: -2.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -56.961946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.961946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.961946 (E_RNA)
where:
Base-Base interactions energy: -22.657
where: short stacking energy: -22.657
Base-Backbone interact. energy: -0.118
local terms energy: -34.186281
where:
bonds (distance) C4'-P energy: -8.400
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -7.066
flat angles P-C4'-P energy: -3.236
tors. eta vs tors. theta energy: -1.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -140.581980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.581980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.581980 (E_RNA)
where:
Base-Base interactions energy: -84.416
where: short stacking energy: -48.399
Base-Backbone interact. energy: -0.181
local terms energy: -55.985323
where:
bonds (distance) C4'-P energy: -6.041
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -14.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -135.183613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.183613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.183613 (E_RNA)
where:
Base-Base interactions energy: -77.115
where: short stacking energy: -52.673
Base-Backbone interact. energy: 1.568
local terms energy: -59.636284
where:
bonds (distance) C4'-P energy: -12.436
bonds (distance) P-C4' energy: -11.811
flat angles C4'-P-C4' energy: -11.143
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -15.904
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: 485
Temperature: 1.000000
Total energy: -100.830425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.830425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.830425 (E_RNA)
where:
Base-Base interactions energy: -45.024
where: short stacking energy: -44.018
Base-Backbone interact. energy: -0.006
local terms energy: -55.800055
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -12.010
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: 4, replica: 9
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -93.864395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.864395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.864395 (E_RNA)
where:
Base-Base interactions energy: -37.187
where: short stacking energy: -37.187
Base-Backbone interact. energy: -0.008
local terms energy: -56.669168
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -8.676
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: 5, replica: 4
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -90.005336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.005336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.005336 (E_RNA)
where:
Base-Base interactions energy: -43.792
where: short stacking energy: -36.437
Base-Backbone interact. energy: -0.009
local terms energy: -46.204356
where:
bonds (distance) C4'-P energy: -10.983
bonds (distance) P-C4' energy: -10.172
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -5.047
tors. eta vs tors. theta energy: -5.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -78.767887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.767887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.767887 (E_RNA)
where:
Base-Base interactions energy: -35.966
where: short stacking energy: -35.966
Base-Backbone interact. energy: -0.004
local terms energy: -42.798108
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -10.138
flat angles C4'-P-C4' energy: -8.333
flat angles P-C4'-P energy: -6.561
tors. eta vs tors. theta energy: -7.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -71.238510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.238510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.238510 (E_RNA)
where:
Base-Base interactions energy: -29.004
where: short stacking energy: -29.004
Base-Backbone interact. energy: -0.146
local terms energy: -42.088655
where:
bonds (distance) C4'-P energy: -9.255
bonds (distance) P-C4' energy: -10.314
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -5.277
tors. eta vs tors. theta energy: -4.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -70.769490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.769490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.769490 (E_RNA)
where:
Base-Base interactions energy: -26.497
where: short stacking energy: -27.997
Base-Backbone interact. energy: -0.050
local terms energy: -44.222716
where:
bonds (distance) C4'-P energy: -8.711
bonds (distance) P-C4' energy: -8.029
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: -8.563
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: 5
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -65.178847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.178847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.178847 (E_RNA)
where:
Base-Base interactions energy: -28.205
where: short stacking energy: -28.205
Base-Backbone interact. energy: -0.101
local terms energy: -36.872399
where:
bonds (distance) C4'-P energy: -8.306
bonds (distance) P-C4' energy: -12.264
flat angles C4'-P-C4' energy: -10.396
flat angles P-C4'-P energy: -4.001
tors. eta vs tors. theta energy: -1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -66.406355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.406355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.406355 (E_RNA)
where:
Base-Base interactions energy: -24.274
where: short stacking energy: -24.674
Base-Backbone interact. energy: -0.004
local terms energy: -42.128191
where:
bonds (distance) C4'-P energy: -7.240
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -4.470
tors. eta vs tors. theta energy: -5.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -142.559535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.559535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.559535 (E_RNA)
where:
Base-Base interactions energy: -84.125
where: short stacking energy: -55.108
Base-Backbone interact. energy: -0.064
local terms energy: -58.370644
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -10.750
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: -14.113
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: 1
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -130.807481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.807481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.807481 (E_RNA)
where:
Base-Base interactions energy: -71.136
where: short stacking energy: -40.311
Base-Backbone interact. energy: -0.073
local terms energy: -59.597911
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -12.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -95.897651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.897651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.897651 (E_RNA)
where:
Base-Base interactions energy: -50.823
where: short stacking energy: -32.086
Base-Backbone interact. energy: -0.035
local terms energy: -45.040013
where:
bonds (distance) C4'-P energy: -9.717
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -3.884
tors. eta vs tors. theta energy: -5.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -80.969231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.969231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.969231 (E_RNA)
where:
Base-Base interactions energy: -31.882
where: short stacking energy: -31.793
Base-Backbone interact. energy: -0.650
local terms energy: -48.437496
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -12.665
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -6.559
tors. eta vs tors. theta energy: -4.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -84.575869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.575869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.575869 (E_RNA)
where:
Base-Base interactions energy: -36.844
where: short stacking energy: -36.844
Base-Backbone interact. energy: -0.002
local terms energy: -47.730311
where:
bonds (distance) C4'-P energy: -7.907
bonds (distance) P-C4' energy: -13.202
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -7.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -80.758280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.758280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.758280 (E_RNA)
where:
Base-Base interactions energy: -34.421
where: short stacking energy: -34.421
Base-Backbone interact. energy: -0.088
local terms energy: -46.249339
where:
bonds (distance) C4'-P energy: -9.302
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -11.112
flat angles P-C4'-P energy: -7.128
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: 7, replica: 7
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -72.730418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.730418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.730418 (E_RNA)
where:
Base-Base interactions energy: -35.390
where: short stacking energy: -35.390
Base-Backbone interact. energy: -0.030
local terms energy: -37.309687
where:
bonds (distance) C4'-P energy: -6.658
bonds (distance) P-C4' energy: -9.367
flat angles C4'-P-C4' energy: -10.199
flat angles P-C4'-P energy: -4.533
tors. eta vs tors. theta energy: -6.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -74.154541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.154541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.154541 (E_RNA)
where:
Base-Base interactions energy: -29.196
where: short stacking energy: -29.196
Base-Backbone interact. energy: -0.019
local terms energy: -44.938743
where:
bonds (distance) C4'-P energy: -9.266
bonds (distance) P-C4' energy: -11.740
flat angles C4'-P-C4' energy: -9.682
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -6.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -65.468319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.468319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.468319 (E_RNA)
where:
Base-Base interactions energy: -25.426
where: short stacking energy: -25.426
Base-Backbone interact. energy: -0.028
local terms energy: -40.013640
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -5.334
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -4.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -68.086368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.086368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.086368 (E_RNA)
where:
Base-Base interactions energy: -23.334
where: short stacking energy: -23.334
Base-Backbone interact. energy: -0.104
local terms energy: -44.648377
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -10.437
flat angles C4'-P-C4' energy: -10.431
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -3.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -139.877739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.877739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.877739 (E_RNA)
where:
Base-Base interactions energy: -79.374
where: short stacking energy: -43.898
Base-Backbone interact. energy: -0.153
local terms energy: -60.350912
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -14.214
flat angles C4'-P-C4' energy: -11.530
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -14.092
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: 6
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -105.549558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.549558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.549558 (E_RNA)
where:
Base-Base interactions energy: -49.718
where: short stacking energy: -39.667
Base-Backbone interact. energy: -0.001
local terms energy: -55.830822
where:
bonds (distance) C4'-P energy: -9.029
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -12.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -131.366741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.366741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.366741 (E_RNA)
where:
Base-Base interactions energy: -73.390
where: short stacking energy: -45.554
Base-Backbone interact. energy: -0.011
local terms energy: -57.965079
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -9.817
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: 4, replica: 3
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -93.100162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.100162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.100162 (E_RNA)
where:
Base-Base interactions energy: -39.393
where: short stacking energy: -39.393
Base-Backbone interact. energy: -0.105
local terms energy: -53.602075
where:
bonds (distance) C4'-P energy: -10.850
bonds (distance) P-C4' energy: -9.904
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -9.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -108.331455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.331455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.331455 (E_RNA)
where:
Base-Base interactions energy: -55.046
where: short stacking energy: -55.046
Base-Backbone interact. energy: -0.001
local terms energy: -53.283832
where:
bonds (distance) C4'-P energy: -7.969
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -7.528
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: 6, replica: 7
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -78.205594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.205594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.205594 (E_RNA)
where:
Base-Base interactions energy: -40.160
where: short stacking energy: -33.415
Base-Backbone interact. energy: 0.714
local terms energy: -38.759520
where:
bonds (distance) C4'-P energy: -10.829
bonds (distance) P-C4' energy: -9.442
flat angles C4'-P-C4' energy: -6.378
flat angles P-C4'-P energy: -4.962
tors. eta vs tors. theta energy: -7.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -77.433756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.433756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.433756 (E_RNA)
where:
Base-Base interactions energy: -33.121
where: short stacking energy: -25.462
Base-Backbone interact. energy: 3.570
local terms energy: -47.883304
where:
bonds (distance) C4'-P energy: -11.617
bonds (distance) P-C4' energy: -11.224
flat angles C4'-P-C4' energy: -11.692
flat angles P-C4'-P energy: -6.380
tors. eta vs tors. theta energy: -6.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -73.780592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.780592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.780592 (E_RNA)
where:
Base-Base interactions energy: -33.925
where: short stacking energy: -33.925
Base-Backbone interact. energy: -0.037
local terms energy: -39.818976
where:
bonds (distance) C4'-P energy: -8.691
bonds (distance) P-C4' energy: -8.479
flat angles C4'-P-C4' energy: -8.881
flat angles P-C4'-P energy: -6.473
tors. eta vs tors. theta energy: -7.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -60.280715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.280715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.280715 (E_RNA)
where:
Base-Base interactions energy: -20.015
where: short stacking energy: -20.015
Base-Backbone interact. energy: -0.197
local terms energy: -40.068423
where:
bonds (distance) C4'-P energy: -8.499
bonds (distance) P-C4' energy: -11.014
flat angles C4'-P-C4' energy: -10.424
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -1.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -61.114232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.114232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.114232 (E_RNA)
where:
Base-Base interactions energy: -19.902
where: short stacking energy: -19.902
Base-Backbone interact. energy: -0.005
local terms energy: -41.206991
where:
bonds (distance) C4'-P energy: -9.539
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -9.239
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -4.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -143.961264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.961264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.961264 (E_RNA)
where:
Base-Base interactions energy: -83.829
where: short stacking energy: -53.548
Base-Backbone interact. energy: -0.010
local terms energy: -60.122188
where:
bonds (distance) C4'-P energy: -12.184
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -17.176
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: 6
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -99.208698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.208698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.208698 (E_RNA)
where:
Base-Base interactions energy: -49.229
where: short stacking energy: -49.229
Base-Backbone interact. energy: -0.000
local terms energy: -49.979629
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -13.406
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -3.348
tors. eta vs tors. theta energy: -10.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -144.834562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.834562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.834562 (E_RNA)
where:
Base-Base interactions energy: -83.067
where: short stacking energy: -55.245
Base-Backbone interact. energy: -0.080
local terms energy: -61.687827
where:
bonds (distance) C4'-P energy: -12.842
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -6.715
tors. eta vs tors. theta energy: -16.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -83.939654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.939654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.939654 (E_RNA)
where:
Base-Base interactions energy: -36.232
where: short stacking energy: -36.232
Base-Backbone interact. energy: -0.003
local terms energy: -47.704709
where:
bonds (distance) C4'-P energy: -9.561
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -7.206
tors. eta vs tors. theta energy: -6.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -90.144455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.144455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.144455 (E_RNA)
where:
Base-Base interactions energy: -34.991
where: short stacking energy: -34.991
Base-Backbone interact. energy: -0.026
local terms energy: -55.127485
where:
bonds (distance) C4'-P energy: -10.693
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -10.006
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -11.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -84.990228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.990228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.990228 (E_RNA)
where:
Base-Base interactions energy: -36.133
where: short stacking energy: -36.133
Base-Backbone interact. energy: 0.194
local terms energy: -49.051324
where:
bonds (distance) C4'-P energy: -6.087
bonds (distance) P-C4' energy: -10.076
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -11.433
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: 488
Temperature: 1.200000
Total energy: -66.032096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.032096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.032096 (E_RNA)
where:
Base-Base interactions energy: -25.614
where: short stacking energy: -24.689
Base-Backbone interact. energy: 0.668
local terms energy: -41.086494
where:
bonds (distance) C4'-P energy: -9.116
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -10.970
flat angles P-C4'-P energy: -3.477
tors. eta vs tors. theta energy: -2.613
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: 4
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -75.303266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.303266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.303266 (E_RNA)
where:
Base-Base interactions energy: -33.155
where: short stacking energy: -33.155
Base-Backbone interact. energy: -0.112
local terms energy: -42.035402
where:
bonds (distance) C4'-P energy: -10.507
bonds (distance) P-C4' energy: -7.911
flat angles C4'-P-C4' energy: -10.141
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -3.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -70.459517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.459517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.459517 (E_RNA)
where:
Base-Base interactions energy: -31.787
where: short stacking energy: -29.008
Base-Backbone interact. energy: 0.152
local terms energy: -38.824392
where:
bonds (distance) C4'-P energy: -12.768
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -5.425
flat angles P-C4'-P energy: -3.907
tors. eta vs tors. theta energy: -2.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -60.693922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.693922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.693922 (E_RNA)
where:
Base-Base interactions energy: -24.255
where: short stacking energy: -23.217
Base-Backbone interact. energy: -0.101
local terms energy: -36.338114
where:
bonds (distance) C4'-P energy: -6.798
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -7.676
flat angles P-C4'-P energy: -5.308
tors. eta vs tors. theta energy: -5.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -140.729764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.729764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.729764 (E_RNA)
where:
Base-Base interactions energy: -82.510
where: short stacking energy: -49.745
Base-Backbone interact. energy: -0.002
local terms energy: -58.218300
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -11.508
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -14.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -137.488683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.488683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.488683 (E_RNA)
where:
Base-Base interactions energy: -77.866
where: short stacking energy: -48.489
Base-Backbone interact. energy: -0.001
local terms energy: -59.622061
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -11.167
flat angles C4'-P-C4' energy: -11.065
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -14.393
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: 6
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -95.814397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.814397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.814397 (E_RNA)
where:
Base-Base interactions energy: -44.863
where: short stacking energy: -43.962
Base-Backbone interact. energy: -0.164
local terms energy: -50.787219
where:
bonds (distance) C4'-P energy: -10.930
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -7.197
tors. eta vs tors. theta energy: -9.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -97.939826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.939826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.939826 (E_RNA)
where:
Base-Base interactions energy: -46.667
where: short stacking energy: -42.576
Base-Backbone interact. energy: -0.108
local terms energy: -51.165252
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -8.319
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -10.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -89.792246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.792246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.792246 (E_RNA)
where:
Base-Base interactions energy: -43.635
where: short stacking energy: -43.635
Base-Backbone interact. energy: -0.038
local terms energy: -46.119340
where:
bonds (distance) C4'-P energy: -7.207
bonds (distance) P-C4' energy: -11.472
flat angles C4'-P-C4' energy: -9.249
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -8.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -77.068646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.068646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.068646 (E_RNA)
where:
Base-Base interactions energy: -36.677
where: short stacking energy: -33.056
Base-Backbone interact. energy: -0.288
local terms energy: -40.103976
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -3.809
tors. eta vs tors. theta energy: -2.848
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: 7, replica: 10
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -84.240220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.240220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.240220 (E_RNA)
where:
Base-Base interactions energy: -42.516
where: short stacking energy: -29.385
Base-Backbone interact. energy: -0.081
local terms energy: -41.642804
where:
bonds (distance) C4'-P energy: -10.047
bonds (distance) P-C4' energy: -12.166
flat angles C4'-P-C4' energy: -10.385
flat angles P-C4'-P energy: -3.452
tors. eta vs tors. theta energy: -5.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -70.112602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.112602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.112602 (E_RNA)
where:
Base-Base interactions energy: -29.658
where: short stacking energy: -29.658
Base-Backbone interact. energy: 0.490
local terms energy: -40.944586
where:
bonds (distance) C4'-P energy: -2.824
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -8.313
flat angles P-C4'-P energy: -7.307
tors. eta vs tors. theta energy: -8.975
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: 4
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -69.471516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.471516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.471516 (E_RNA)
where:
Base-Base interactions energy: -41.293
where: short stacking energy: -21.258
Base-Backbone interact. energy: 0.575
local terms energy: -28.752770
where:
bonds (distance) C4'-P energy: -7.468
bonds (distance) P-C4' energy: -10.354
flat angles C4'-P-C4' energy: -3.544
flat angles P-C4'-P energy: -4.379
tors. eta vs tors. theta energy: -3.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -65.486102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.486102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.486102 (E_RNA)
where:
Base-Base interactions energy: -27.758
where: short stacking energy: -26.738
Base-Backbone interact. energy: -0.088
local terms energy: -37.640580
where:
bonds (distance) C4'-P energy: -9.000
bonds (distance) P-C4' energy: -7.097
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -6.708
tors. eta vs tors. theta energy: -3.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -146.937921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.937921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.937921 (E_RNA)
where:
Base-Base interactions energy: -90.611
where: short stacking energy: -50.933
Base-Backbone interact. energy: -0.005
local terms energy: -56.322525
where:
bonds (distance) C4'-P energy: -8.815
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -8.014
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: 1
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -139.502211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.502211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.502211 (E_RNA)
where:
Base-Base interactions energy: -79.723
where: short stacking energy: -51.845
Base-Backbone interact. energy: 0.753
local terms energy: -60.532625
where:
bonds (distance) C4'-P energy: -9.418
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -10.631
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: 7
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -97.858375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.858375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.858375 (E_RNA)
where:
Base-Base interactions energy: -44.325
where: short stacking energy: -42.727
Base-Backbone interact. energy: -0.029
local terms energy: -53.504364
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -9.335
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -10.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -98.726479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.726479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.726479 (E_RNA)
where:
Base-Base interactions energy: -47.356
where: short stacking energy: -47.356
Base-Backbone interact. energy: -0.118
local terms energy: -51.252425
where:
bonds (distance) C4'-P energy: -6.262
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -12.008
flat angles P-C4'-P energy: -6.662
tors. eta vs tors. theta energy: -12.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -85.204614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.204614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.204614 (E_RNA)
where:
Base-Base interactions energy: -38.860
where: short stacking energy: -38.860
Base-Backbone interact. energy: 0.557
local terms energy: -46.902081
where:
bonds (distance) C4'-P energy: -8.168
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -9.663
flat angles P-C4'-P energy: -6.708
tors. eta vs tors. theta energy: -9.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -84.993304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.993304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.993304 (E_RNA)
where:
Base-Base interactions energy: -35.914
where: short stacking energy: -35.914
Base-Backbone interact. energy: -0.021
local terms energy: -49.058591
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -9.721
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -6.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -73.995010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.995010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.995010 (E_RNA)
where:
Base-Base interactions energy: -21.531
where: short stacking energy: -22.031
Base-Backbone interact. energy: -0.011
local terms energy: -52.453145
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -13.368
flat angles C4'-P-C4' energy: -7.181
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -8.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -64.806354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.806354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.806354 (E_RNA)
where:
Base-Base interactions energy: -19.207
where: short stacking energy: -19.207
Base-Backbone interact. energy: -0.025
local terms energy: -45.574440
where:
bonds (distance) C4'-P energy: -11.071
bonds (distance) P-C4' energy: -11.489
flat angles C4'-P-C4' energy: -10.250
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -4.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -68.263197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.263197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.263197 (E_RNA)
where:
Base-Base interactions energy: -26.688
where: short stacking energy: -26.688
Base-Backbone interact. energy: -0.000
local terms energy: -41.575012
where:
bonds (distance) C4'-P energy: -6.711
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -9.160
flat angles P-C4'-P energy: -5.642
tors. eta vs tors. theta energy: -7.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -66.353627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.353627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.353627 (E_RNA)
where:
Base-Base interactions energy: -25.772
where: short stacking energy: -25.174
Base-Backbone interact. energy: -0.006
local terms energy: -40.575959
where:
bonds (distance) C4'-P energy: -10.189
bonds (distance) P-C4' energy: -9.365
flat angles C4'-P-C4' energy: -11.182
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -1.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -152.078704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.078704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.078704 (E_RNA)
where:
Base-Base interactions energy: -85.864
where: short stacking energy: -54.426
Base-Backbone interact. energy: -0.029
local terms energy: -66.185885
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -16.549
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: 491
Temperature: 0.950000
Total energy: -126.970506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.970506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.970506 (E_RNA)
where:
Base-Base interactions energy: -74.468
where: short stacking energy: -39.060
Base-Backbone interact. energy: -0.107
local terms energy: -52.395740
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -4.808
tors. eta vs tors. theta energy: -9.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -93.090171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.090171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.090171 (E_RNA)
where:
Base-Base interactions energy: -39.305
where: short stacking energy: -39.305
Base-Backbone interact. energy: -0.099
local terms energy: -53.686308
where:
bonds (distance) C4'-P energy: -11.402
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -5.457
tors. eta vs tors. theta energy: -11.294
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: 6
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -90.754499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.754499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.754499 (E_RNA)
where:
Base-Base interactions energy: -40.836
where: short stacking energy: -33.338
Base-Backbone interact. energy: -0.018
local terms energy: -49.900596
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -9.211
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -7.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -76.238046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.238046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.238046 (E_RNA)
where:
Base-Base interactions energy: -26.027
where: short stacking energy: -26.027
Base-Backbone interact. energy: -0.021
local terms energy: -50.190572
where:
bonds (distance) C4'-P energy: -10.465
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -9.246
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -8.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -87.586293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.586293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.586293 (E_RNA)
where:
Base-Base interactions energy: -46.008
where: short stacking energy: -25.620
Base-Backbone interact. energy: -0.102
local terms energy: -41.475622
where:
bonds (distance) C4'-P energy: -10.192
bonds (distance) P-C4' energy: -10.144
flat angles C4'-P-C4' energy: -9.129
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -3.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -71.061771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.061771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.061771 (E_RNA)
where:
Base-Base interactions energy: -24.174
where: short stacking energy: -24.174
Base-Backbone interact. energy: 0.896
local terms energy: -47.783778
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -8.028
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: -5.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -68.851851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.851851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.851851 (E_RNA)
where:
Base-Base interactions energy: -30.578
where: short stacking energy: -25.248
Base-Backbone interact. energy: -0.176
local terms energy: -38.097701
where:
bonds (distance) C4'-P energy: -8.772
bonds (distance) P-C4' energy: -9.285
flat angles C4'-P-C4' energy: -10.253
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -2.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -62.128714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.128714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.128714 (E_RNA)
where:
Base-Base interactions energy: -19.001
where: short stacking energy: -19.001
Base-Backbone interact. energy: -0.180
local terms energy: -42.947595
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -8.913
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -0.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -60.209474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.209474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.209474 (E_RNA)
where:
Base-Base interactions energy: -23.247
where: short stacking energy: -23.247
Base-Backbone interact. energy: -0.136
local terms energy: -36.826969
where:
bonds (distance) C4'-P energy: -7.667
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -5.182
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: -4.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -144.999407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.999407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.999407 (E_RNA)
where:
Base-Base interactions energy: -86.514
where: short stacking energy: -52.095
Base-Backbone interact. energy: -0.122
local terms energy: -58.363346
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -10.946
flat angles P-C4'-P energy: -7.735
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: 2, replica: 1
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -135.967859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.967859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.967859 (E_RNA)
where:
Base-Base interactions energy: -82.218
where: short stacking energy: -51.335
Base-Backbone interact. energy: -0.004
local terms energy: -53.746074
where:
bonds (distance) C4'-P energy: -5.871
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -5.698
tors. eta vs tors. theta energy: -14.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -99.757749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.757749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.757749 (E_RNA)
where:
Base-Base interactions energy: -47.175
where: short stacking energy: -38.864
Base-Backbone interact. energy: -0.001
local terms energy: -52.581993
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -10.839
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -9.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -102.779190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.779190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.779190 (E_RNA)
where:
Base-Base interactions energy: -44.949
where: short stacking energy: -44.949
Base-Backbone interact. energy: -0.001
local terms energy: -57.829265
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -9.769
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -13.951
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: 9
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -88.057797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.057797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.057797 (E_RNA)
where:
Base-Base interactions energy: -42.424
where: short stacking energy: -31.761
Base-Backbone interact. energy: -0.018
local terms energy: -45.615386
where:
bonds (distance) C4'-P energy: -10.247
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -9.329
flat angles P-C4'-P energy: -6.175
tors. eta vs tors. theta energy: -8.428
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: 6, replica: 3
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -73.605274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.605274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.605274 (E_RNA)
where:
Base-Base interactions energy: -29.486
where: short stacking energy: -28.776
Base-Backbone interact. energy: -0.030
local terms energy: -44.088555
where:
bonds (distance) C4'-P energy: -11.936
bonds (distance) P-C4' energy: -7.874
flat angles C4'-P-C4' energy: -10.424
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -5.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -84.602360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.602360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.602360 (E_RNA)
where:
Base-Base interactions energy: -34.436
where: short stacking energy: -32.300
Base-Backbone interact. energy: 1.168
local terms energy: -51.334605
where:
bonds (distance) C4'-P energy: -10.351
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -11.386
flat angles P-C4'-P energy: -9.138
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: 8, replica: 8
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -72.596945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.596945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.596945 (E_RNA)
where:
Base-Base interactions energy: -30.483
where: short stacking energy: -30.462
Base-Backbone interact. energy: -0.072
local terms energy: -42.041515
where:
bonds (distance) C4'-P energy: -8.876
bonds (distance) P-C4' energy: -9.716
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -3.692
tors. eta vs tors. theta energy: -7.863
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: 4
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -72.570461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.570461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.570461 (E_RNA)
where:
Base-Base interactions energy: -26.534
where: short stacking energy: -26.534
Base-Backbone interact. energy: -0.026
local terms energy: -46.011110
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -8.307
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -7.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -62.410370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.410370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.410370 (E_RNA)
where:
Base-Base interactions energy: -26.352
where: short stacking energy: -15.574
Base-Backbone interact. energy: -0.235
local terms energy: -35.823533
where:
bonds (distance) C4'-P energy: -11.571
bonds (distance) P-C4' energy: -10.520
flat angles C4'-P-C4' energy: -5.127
flat angles P-C4'-P energy: -4.148
tors. eta vs tors. theta energy: -4.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -146.378971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.378971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.378971 (E_RNA)
where:
Base-Base interactions energy: -86.706
where: short stacking energy: -52.885
Base-Backbone interact. energy: -0.005
local terms energy: -59.668301
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -11.657
flat angles C4'-P-C4' energy: -11.700
flat angles P-C4'-P energy: -9.425
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: 2, replica: 7
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -98.671547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.671547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.671547 (E_RNA)
where:
Base-Base interactions energy: -54.140
where: short stacking energy: -35.842
Base-Backbone interact. energy: -0.105
local terms energy: -44.426231
where:
bonds (distance) C4'-P energy: -9.878
bonds (distance) P-C4' energy: -8.829
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -6.260
tors. eta vs tors. theta energy: -5.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -142.697935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.697935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.697935 (E_RNA)
where:
Base-Base interactions energy: -87.120
where: short stacking energy: -50.344
Base-Backbone interact. energy: -0.015
local terms energy: -55.563000
where:
bonds (distance) C4'-P energy: -8.384
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -11.244
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -14.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -79.275440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.275440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.275440 (E_RNA)
where:
Base-Base interactions energy: -34.780
where: short stacking energy: -21.593
Base-Backbone interact. energy: 0.505
local terms energy: -45.000234
where:
bonds (distance) C4'-P energy: -7.883
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -3.556
tors. eta vs tors. theta energy: -7.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -82.291816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.291816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.291816 (E_RNA)
where:
Base-Base interactions energy: -31.294
where: short stacking energy: -31.294
Base-Backbone interact. energy: -0.002
local terms energy: -50.996266
where:
bonds (distance) C4'-P energy: -8.354
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -11.095
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: -10.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -80.156282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.156282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.156282 (E_RNA)
where:
Base-Base interactions energy: -32.416
where: short stacking energy: -29.284
Base-Backbone interact. energy: -0.017
local terms energy: -47.723357
where:
bonds (distance) C4'-P energy: -10.581
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -9.534
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -4.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -82.471635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.471635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.471635 (E_RNA)
where:
Base-Base interactions energy: -36.775
where: short stacking energy: -17.986
Base-Backbone interact. energy: -0.262
local terms energy: -45.434038
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -10.103
flat angles P-C4'-P energy: -6.413
tors. eta vs tors. theta energy: -4.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -61.003842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.003842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.003842 (E_RNA)
where:
Base-Base interactions energy: -25.277
where: short stacking energy: -25.277
Base-Backbone interact. energy: 0.209
local terms energy: -35.936023
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -10.451
flat angles C4'-P-C4' energy: -4.593
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -1.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -65.862264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.862264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.862264 (E_RNA)
where:
Base-Base interactions energy: -26.735
where: short stacking energy: -26.735
Base-Backbone interact. energy: -0.774
local terms energy: -38.353861
where:
bonds (distance) C4'-P energy: -10.806
bonds (distance) P-C4' energy: -9.563
flat angles C4'-P-C4' energy: -7.392
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -2.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -66.852245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.852245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.852245 (E_RNA)
where:
Base-Base interactions energy: -22.821
where: short stacking energy: -22.921
Base-Backbone interact. energy: -0.245
local terms energy: -43.786047
where:
bonds (distance) C4'-P energy: -8.653
bonds (distance) P-C4' energy: -11.609
flat angles C4'-P-C4' energy: -7.991
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -7.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -144.201450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.201450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.201450 (E_RNA)
where:
Base-Base interactions energy: -82.220
where: short stacking energy: -51.975
Base-Backbone interact. energy: -0.000
local terms energy: -61.981111
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -6.337
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: 2, replica: 7
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -97.349956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.349956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.349956 (E_RNA)
where:
Base-Base interactions energy: -44.608
where: short stacking energy: -44.608
Base-Backbone interact. energy: -0.021
local terms energy: -52.721229
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -10.785
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -7.511
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: 3, replica: 1
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -124.180770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.180770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.180770 (E_RNA)
where:
Base-Base interactions energy: -68.151
where: short stacking energy: -38.264
Base-Backbone interact. energy: -0.002
local terms energy: -56.028078
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -11.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -88.697886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.697886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.697886 (E_RNA)
where:
Base-Base interactions energy: -36.134
where: short stacking energy: -36.134
Base-Backbone interact. energy: -0.048
local terms energy: -52.515823
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -10.698
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -10.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -77.280416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.280416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.280416 (E_RNA)
where:
Base-Base interactions energy: -26.714
where: short stacking energy: -28.214
Base-Backbone interact. energy: -0.087
local terms energy: -50.479447
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -9.627
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -6.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -76.798932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.798932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.798932 (E_RNA)
where:
Base-Base interactions energy: -37.819
where: short stacking energy: -37.819
Base-Backbone interact. energy: -0.060
local terms energy: -38.920097
where:
bonds (distance) C4'-P energy: -9.446
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -10.114
flat angles P-C4'-P energy: -1.644
tors. eta vs tors. theta energy: -6.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -78.924132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.924132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.924132 (E_RNA)
where:
Base-Base interactions energy: -37.406
where: short stacking energy: -37.406
Base-Backbone interact. energy: -0.031
local terms energy: -41.487372
where:
bonds (distance) C4'-P energy: -7.509
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -9.089
flat angles P-C4'-P energy: -5.156
tors. eta vs tors. theta energy: -8.248
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: 5
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -63.937062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.937062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.937062 (E_RNA)
where:
Base-Base interactions energy: -22.848
where: short stacking energy: -22.848
Base-Backbone interact. energy: 0.320
local terms energy: -41.409681
where:
bonds (distance) C4'-P energy: -10.776
bonds (distance) P-C4' energy: -9.949
flat angles C4'-P-C4' energy: -8.598
flat angles P-C4'-P energy: -6.421
tors. eta vs tors. theta energy: -5.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -66.919172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.919172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.919172 (E_RNA)
where:
Base-Base interactions energy: -20.881
where: short stacking energy: -20.881
Base-Backbone interact. energy: -0.000
local terms energy: -46.037737
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -9.961
flat angles P-C4'-P energy: -7.292
tors. eta vs tors. theta energy: -3.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -62.804694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.804694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.804694 (E_RNA)
where:
Base-Base interactions energy: -31.316
where: short stacking energy: -13.744
Base-Backbone interact. energy: -0.183
local terms energy: -31.305782
where:
bonds (distance) C4'-P energy: -5.544
bonds (distance) P-C4' energy: -12.176
flat angles C4'-P-C4' energy: -7.467
flat angles P-C4'-P energy: -5.356
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: 1, replica: 2
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -147.037174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.037174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.037174 (E_RNA)
where:
Base-Base interactions energy: -88.510
where: short stacking energy: -53.107
Base-Backbone interact. energy: 0.093
local terms energy: -58.621105
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -6.824
tors. eta vs tors. theta energy: -14.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -138.629021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.629021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.629021 (E_RNA)
where:
Base-Base interactions energy: -82.702
where: short stacking energy: -46.571
Base-Backbone interact. energy: -0.005
local terms energy: -55.922033
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -7.240
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -13.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -99.254314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.254314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.254314 (E_RNA)
where:
Base-Base interactions energy: -41.461
where: short stacking energy: -41.461
Base-Backbone interact. energy: -0.007
local terms energy: -57.785568
where:
bonds (distance) C4'-P energy: -8.702
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -14.272
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: 495
Temperature: 1.050000
Total energy: -82.232518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.232518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.232518 (E_RNA)
where:
Base-Base interactions energy: -31.671
where: short stacking energy: -31.671
Base-Backbone interact. energy: 0.330
local terms energy: -50.891207
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -11.767
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -5.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -76.212262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.212262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.212262 (E_RNA)
where:
Base-Base interactions energy: -27.367
where: short stacking energy: -27.367
Base-Backbone interact. energy: -0.010
local terms energy: -48.834997
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -9.199
flat angles P-C4'-P energy: -5.885
tors. eta vs tors. theta energy: -8.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -78.657994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.657994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.657994 (E_RNA)
where:
Base-Base interactions energy: -30.608
where: short stacking energy: -29.517
Base-Backbone interact. energy: -0.085
local terms energy: -47.965022
where:
bonds (distance) C4'-P energy: -8.056
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -10.485
flat angles P-C4'-P energy: -9.617
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: 7, replica: 8
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -67.792574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.792574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.792574 (E_RNA)
where:
Base-Base interactions energy: -23.259
where: short stacking energy: -23.259
Base-Backbone interact. energy: -0.029
local terms energy: -44.504296
where:
bonds (distance) C4'-P energy: -7.613
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -4.107
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: 8, replica: 10
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -71.146929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.146929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.146929 (E_RNA)
where:
Base-Base interactions energy: -28.893
where: short stacking energy: -22.350
Base-Backbone interact. energy: 1.164
local terms energy: -43.417210
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -6.994
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -1.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -59.087156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.087156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.087156 (E_RNA)
where:
Base-Base interactions energy: -19.440
where: short stacking energy: -18.289
Base-Backbone interact. energy: -0.371
local terms energy: -39.276285
where:
bonds (distance) C4'-P energy: -10.085
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -4.802
tors. eta vs tors. theta energy: 0.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -64.206096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.206096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.206096 (E_RNA)
where:
Base-Base interactions energy: -23.144
where: short stacking energy: -22.390
Base-Backbone interact. energy: -0.112
local terms energy: -40.949416
where:
bonds (distance) C4'-P energy: -9.928
bonds (distance) P-C4' energy: -9.529
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -3.217
tors. eta vs tors. theta energy: -5.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -144.850988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.850988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.850988 (E_RNA)
where:
Base-Base interactions energy: -85.596
where: short stacking energy: -50.986
Base-Backbone interact. energy: -0.001
local terms energy: -59.253960
where:
bonds (distance) C4'-P energy: -9.746
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -14.774
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: 2, replica: 2
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -138.010743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.010743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.010743 (E_RNA)
where:
Base-Base interactions energy: -77.771
where: short stacking energy: -48.445
Base-Backbone interact. energy: -0.051
local terms energy: -60.188240
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -14.151
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: 9
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -86.960929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.960929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.960929 (E_RNA)
where:
Base-Base interactions energy: -37.227
where: short stacking energy: -37.227
Base-Backbone interact. energy: -0.075
local terms energy: -49.659030
where:
bonds (distance) C4'-P energy: -9.800
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -8.215
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -9.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -93.919442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.919442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.919442 (E_RNA)
where:
Base-Base interactions energy: -47.471
where: short stacking energy: -47.471
Base-Backbone interact. energy: -0.017
local terms energy: -46.431031
where:
bonds (distance) C4'-P energy: -9.340
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -10.027
flat angles P-C4'-P energy: -5.351
tors. eta vs tors. theta energy: -9.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -88.533416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.533416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.533416 (E_RNA)
where:
Base-Base interactions energy: -42.467
where: short stacking energy: -42.467
Base-Backbone interact. energy: -0.006
local terms energy: -46.060660
where:
bonds (distance) C4'-P energy: -9.844
bonds (distance) P-C4' energy: -9.679
flat angles C4'-P-C4' energy: -8.079
flat angles P-C4'-P energy: -7.022
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: 6, replica: 6
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -72.758048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.758048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.758048 (E_RNA)
where:
Base-Base interactions energy: -31.290
where: short stacking energy: -27.151
Base-Backbone interact. energy: -0.103
local terms energy: -41.365109
where:
bonds (distance) C4'-P energy: -9.569
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -9.065
flat angles P-C4'-P energy: -4.159
tors. eta vs tors. theta energy: -7.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -75.421776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.421776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.421776 (E_RNA)
where:
Base-Base interactions energy: -29.380
where: short stacking energy: -29.380
Base-Backbone interact. energy: -0.001
local terms energy: -46.041247
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -11.622
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -3.338
tors. eta vs tors. theta energy: -6.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -72.776713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.776713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.776713 (E_RNA)
where:
Base-Base interactions energy: -30.760
where: short stacking energy: -30.760
Base-Backbone interact. energy: -0.098
local terms energy: -41.919059
where:
bonds (distance) C4'-P energy: -8.222
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -9.996
flat angles P-C4'-P energy: -5.356
tors. eta vs tors. theta energy: -5.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -68.663938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.663938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.663938 (E_RNA)
where:
Base-Base interactions energy: -26.217
where: short stacking energy: -22.285
Base-Backbone interact. energy: -0.073
local terms energy: -42.374492
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -11.117
flat angles C4'-P-C4' energy: -10.011
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -0.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -61.838341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.838341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.838341 (E_RNA)
where:
Base-Base interactions energy: -20.271
where: short stacking energy: -20.271
Base-Backbone interact. energy: -0.229
local terms energy: -41.337792
where:
bonds (distance) C4'-P energy: -8.855
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -0.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -151.829551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.829551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.829551 (E_RNA)
where:
Base-Base interactions energy: -86.763
where: short stacking energy: -53.725
Base-Backbone interact. energy: -0.303
local terms energy: -64.763670
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -14.143
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -14.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -129.050162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.050162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.050162 (E_RNA)
where:
Base-Base interactions energy: -75.844
where: short stacking energy: -47.560
Base-Backbone interact. energy: -0.078
local terms energy: -53.127583
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -11.695
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -5.632
tors. eta vs tors. theta energy: -10.123
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: 9
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -100.672856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.672856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.672856 (E_RNA)
where:
Base-Base interactions energy: -43.119
where: short stacking energy: -43.119
Base-Backbone interact. energy: -0.002
local terms energy: -57.551798
where:
bonds (distance) C4'-P energy: -10.978
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -11.034
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -12.144
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: 7
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -82.079301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.079301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.079301 (E_RNA)
where:
Base-Base interactions energy: -34.197
where: short stacking energy: -34.197
Base-Backbone interact. energy: -0.029
local terms energy: -47.852976
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -9.138
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -8.763
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: 3
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -82.106484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.106484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.106484 (E_RNA)
where:
Base-Base interactions energy: -32.326
where: short stacking energy: -28.169
Base-Backbone interact. energy: -0.361
local terms energy: -49.419554
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -10.229
flat angles P-C4'-P energy: -6.920
tors. eta vs tors. theta energy: -8.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -72.705605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.705605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.705605 (E_RNA)
where:
Base-Base interactions energy: -28.604
where: short stacking energy: -27.983
Base-Backbone interact. energy: 0.353
local terms energy: -44.454416
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -10.063
flat angles P-C4'-P energy: -1.608
tors. eta vs tors. theta energy: -7.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -81.996814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.996814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.996814 (E_RNA)
where:
Base-Base interactions energy: -41.921
where: short stacking energy: -34.184
Base-Backbone interact. energy: -0.232
local terms energy: -39.843750
where:
bonds (distance) C4'-P energy: -7.274
bonds (distance) P-C4' energy: -9.446
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -6.542
tors. eta vs tors. theta energy: -4.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -64.729974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.729974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.729974 (E_RNA)
where:
Base-Base interactions energy: -27.662
where: short stacking energy: -22.114
Base-Backbone interact. energy: -0.222
local terms energy: -36.846095
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -7.971
flat angles P-C4'-P energy: -4.559
tors. eta vs tors. theta energy: -1.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -71.150616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.150616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.150616 (E_RNA)
where:
Base-Base interactions energy: -28.659
where: short stacking energy: -29.559
Base-Backbone interact. energy: -0.045
local terms energy: -42.446164
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -2.437
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -6.725
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: 5
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -55.038343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.038343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.038343 (E_RNA)
where:
Base-Base interactions energy: -23.495
where: short stacking energy: -23.495
Base-Backbone interact. energy: -0.002
local terms energy: -31.541267
where:
bonds (distance) C4'-P energy: -8.495
bonds (distance) P-C4' energy: -4.533
flat angles C4'-P-C4' energy: -6.150
flat angles P-C4'-P energy: -6.295
tors. eta vs tors. theta energy: -6.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -136.052493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.052493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.052493 (E_RNA)
where:
Base-Base interactions energy: -77.489
where: short stacking energy: -47.476
Base-Backbone interact. energy: -0.090
local terms energy: -58.473086
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -10.827
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -12.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -138.444603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.444603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.444603 (E_RNA)
where:
Base-Base interactions energy: -78.499
where: short stacking energy: -43.957
Base-Backbone interact. energy: -0.000
local terms energy: -59.945177
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -10.913
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -15.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -91.139138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.139138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.139138 (E_RNA)
where:
Base-Base interactions energy: -39.324
where: short stacking energy: -38.212
Base-Backbone interact. energy: 0.194
local terms energy: -52.008785
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -11.076
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -7.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -82.097968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.097968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.097968 (E_RNA)
where:
Base-Base interactions energy: -27.555
where: short stacking energy: -27.555
Base-Backbone interact. energy: -0.004
local terms energy: -54.539142
where:
bonds (distance) C4'-P energy: -12.536
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -5.866
tors. eta vs tors. theta energy: -11.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -84.536999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.536999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.536999 (E_RNA)
where:
Base-Base interactions energy: -37.949
where: short stacking energy: -37.949
Base-Backbone interact. energy: -0.008
local terms energy: -46.579951
where:
bonds (distance) C4'-P energy: -10.028
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -9.940
flat angles P-C4'-P energy: -6.726
tors. eta vs tors. theta energy: -7.534
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: 3
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -84.161989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.161989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.161989 (E_RNA)
where:
Base-Base interactions energy: -35.295
where: short stacking energy: -35.295
Base-Backbone interact. energy: -0.212
local terms energy: -48.654377
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -10.690
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -5.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -72.545461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.545461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.545461 (E_RNA)
where:
Base-Base interactions energy: -30.295
where: short stacking energy: -30.295
Base-Backbone interact. energy: -0.122
local terms energy: -42.128306
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -7.544
flat angles P-C4'-P energy: -3.551
tors. eta vs tors. theta energy: -5.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -65.582708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.582708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.582708 (E_RNA)
where:
Base-Base interactions energy: -24.765
where: short stacking energy: -24.765
Base-Backbone interact. energy: 0.559
local terms energy: -41.377176
where:
bonds (distance) C4'-P energy: -9.004
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -8.932
flat angles P-C4'-P energy: -5.633
tors. eta vs tors. theta energy: -5.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -68.018272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.018272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.018272 (E_RNA)
where:
Base-Base interactions energy: -28.392
where: short stacking energy: -28.392
Base-Backbone interact. energy: -0.067
local terms energy: -39.558904
where:
bonds (distance) C4'-P energy: -9.579
bonds (distance) P-C4' energy: -10.349
flat angles C4'-P-C4' energy: -9.488
flat angles P-C4'-P energy: -4.457
tors. eta vs tors. theta energy: -5.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -68.642533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.642533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.642533 (E_RNA)
where:
Base-Base interactions energy: -28.088
where: short stacking energy: -28.088
Base-Backbone interact. energy: -0.026
local terms energy: -40.528101
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -4.364
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -5.103
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: 499
Temperature: 0.900000
Total energy: -129.690238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.690238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.690238 (E_RNA)
where:
Base-Base interactions energy: -75.997
where: short stacking energy: -38.478
Base-Backbone interact. energy: 0.677
local terms energy: -54.369861
where:
bonds (distance) C4'-P energy: -8.930
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -9.612
flat angles P-C4'-P energy: -8.688
tors. eta vs tors. theta energy: -13.575
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: 1
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -128.978483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.978483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.978483 (E_RNA)
where:
Base-Base interactions energy: -76.856
where: short stacking energy: -42.310
Base-Backbone interact. energy: -0.001
local terms energy: -52.121321
where:
bonds (distance) C4'-P energy: -9.780
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -10.646
flat angles P-C4'-P energy: -6.163
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: 3, replica: 7
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -98.307007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.307007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.307007 (E_RNA)
where:
Base-Base interactions energy: -48.676
where: short stacking energy: -41.335
Base-Backbone interact. energy: -0.110
local terms energy: -49.520808
where:
bonds (distance) C4'-P energy: -9.973
bonds (distance) P-C4' energy: -8.227
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -7.712
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: 4, replica: 10
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -80.461960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.461960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.461960 (E_RNA)
where:
Base-Base interactions energy: -33.527
where: short stacking energy: -33.527
Base-Backbone interact. energy: -0.356
local terms energy: -46.578838
where:
bonds (distance) C4'-P energy: -9.753
bonds (distance) P-C4' energy: -11.474
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -7.102
tors. eta vs tors. theta energy: -5.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -90.588391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.588391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.588391 (E_RNA)
where:
Base-Base interactions energy: -32.992
where: short stacking energy: -31.487
Base-Backbone interact. energy: -0.180
local terms energy: -57.416001
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -8.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -77.669594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.669594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.669594 (E_RNA)
where:
Base-Base interactions energy: -28.821
where: short stacking energy: -28.821
Base-Backbone interact. energy: -0.074
local terms energy: -48.774780
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -11.496
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -6.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -91.284760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.284760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.284760 (E_RNA)
where:
Base-Base interactions energy: -40.364
where: short stacking energy: -40.364
Base-Backbone interact. energy: -0.102
local terms energy: -50.818640
where:
bonds (distance) C4'-P energy: -10.736
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -4.937
tors. eta vs tors. theta energy: -10.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -69.910424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.910424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.910424 (E_RNA)
where:
Base-Base interactions energy: -28.146
where: short stacking energy: -28.109
Base-Backbone interact. energy: -0.110
local terms energy: -41.653866
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -9.551
flat angles P-C4'-P energy: -2.714
tors. eta vs tors. theta energy: -5.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -57.778587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.778587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.778587 (E_RNA)
where:
Base-Base interactions energy: -17.436
where: short stacking energy: -16.276
Base-Backbone interact. energy: -0.592
local terms energy: -39.749889
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -10.939
flat angles C4'-P-C4' energy: -8.418
flat angles P-C4'-P energy: -6.594
tors. eta vs tors. theta energy: -0.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -58.531945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.531945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.531945 (E_RNA)
where:
Base-Base interactions energy: -19.712
where: short stacking energy: -19.712
Base-Backbone interact. energy: -0.078
local terms energy: -38.742147
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -6.265
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -6.670
tors. eta vs tors. theta energy: -2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -142.063989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.063989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.063989 (E_RNA)
where:
Base-Base interactions energy: -88.727
where: short stacking energy: -55.522
Base-Backbone interact. energy: -0.001
local terms energy: -53.335368
where:
bonds (distance) C4'-P energy: -9.054
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -9.527
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -14.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -131.942289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.942289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.942289 (E_RNA)
where:
Base-Base interactions energy: -79.872
where: short stacking energy: -44.466
Base-Backbone interact. energy: -0.007
local terms energy: -52.063380
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -11.279
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -7.423
tors. eta vs tors. theta energy: -9.862
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: 3, replica: 10
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -100.105424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.105424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.105424 (E_RNA)
where:
Base-Base interactions energy: -45.518
where: short stacking energy: -45.022
Base-Backbone interact. energy: -0.012
local terms energy: -54.575850
where:
bonds (distance) C4'-P energy: -9.329
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -5.099
tors. eta vs tors. theta energy: -13.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -82.060324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.060324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.060324 (E_RNA)
where:
Base-Base interactions energy: -37.750
where: short stacking energy: -32.590
Base-Backbone interact. energy: -0.113
local terms energy: -44.197713
where:
bonds (distance) C4'-P energy: -11.622
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -4.214
tors. eta vs tors. theta energy: -3.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -84.381761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.381761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.381761 (E_RNA)
where:
Base-Base interactions energy: -37.655
where: short stacking energy: -32.342
Base-Backbone interact. energy: -0.022
local terms energy: -46.704405
where:
bonds (distance) C4'-P energy: -10.565
bonds (distance) P-C4' energy: -10.770
flat angles C4'-P-C4' energy: -10.738
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -7.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -89.142325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.142325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.142325 (E_RNA)
where:
Base-Base interactions energy: -45.169
where: short stacking energy: -26.596
Base-Backbone interact. energy: -0.122
local terms energy: -43.851562
where:
bonds (distance) C4'-P energy: -5.663
bonds (distance) P-C4' energy: -11.839
flat angles C4'-P-C4' energy: -11.192
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: -7.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -69.947832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.947832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.947832 (E_RNA)
where:
Base-Base interactions energy: -28.132
where: short stacking energy: -15.985
Base-Backbone interact. energy: 0.699
local terms energy: -42.514772
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -9.947
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -1.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -69.666141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.666141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.666141 (E_RNA)
where:
Base-Base interactions energy: -30.287
where: short stacking energy: -24.884
Base-Backbone interact. energy: -0.371
local terms energy: -39.008352
where:
bonds (distance) C4'-P energy: -9.275
bonds (distance) P-C4' energy: -10.449
flat angles C4'-P-C4' energy: -9.686
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: -2.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -68.424182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.424182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.424182 (E_RNA)
where:
Base-Base interactions energy: -32.950
where: short stacking energy: -32.950
Base-Backbone interact. energy: -0.062
local terms energy: -35.412102
where:
bonds (distance) C4'-P energy: -5.468
bonds (distance) P-C4' energy: -9.915
flat angles C4'-P-C4' energy: -10.156
flat angles P-C4'-P energy: -2.722
tors. eta vs tors. theta energy: -7.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -57.791267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.791267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.791267 (E_RNA)
where:
Base-Base interactions energy: -20.035
where: short stacking energy: -18.756
Base-Backbone interact. energy: -0.320
local terms energy: -37.436359
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -11.504
flat angles C4'-P-C4' energy: -12.058
flat angles P-C4'-P energy: -2.167
tors. eta vs tors. theta energy: 0.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -133.230986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.230986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.230986 (E_RNA)
where:
Base-Base interactions energy: -78.191
where: short stacking energy: -46.011
Base-Backbone interact. energy: -0.008
local terms energy: -55.031689
where:
bonds (distance) C4'-P energy: -9.737
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -13.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -130.335025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.335025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.335025 (E_RNA)
where:
Base-Base interactions energy: -72.618
where: short stacking energy: -43.140
Base-Backbone interact. energy: -0.012
local terms energy: -57.705247
where:
bonds (distance) C4'-P energy: -10.085
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -12.277
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: 3, replica: 10
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -83.940631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.940631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.940631 (E_RNA)
where:
Base-Base interactions energy: -34.192
where: short stacking energy: -29.427
Base-Backbone interact. energy: -0.239
local terms energy: -49.508975
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -4.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -97.123274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.123274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.123274 (E_RNA)
where:
Base-Base interactions energy: -45.054
where: short stacking energy: -45.054
Base-Backbone interact. energy: -0.113
local terms energy: -51.956375
where:
bonds (distance) C4'-P energy: -9.409
bonds (distance) P-C4' energy: -11.019
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -11.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -82.024323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.024323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.024323 (E_RNA)
where:
Base-Base interactions energy: -37.957
where: short stacking energy: -23.304
Base-Backbone interact. energy: -0.244
local terms energy: -43.823592
where:
bonds (distance) C4'-P energy: -8.814
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -12.634
flat angles P-C4'-P energy: -4.309
tors. eta vs tors. theta energy: -3.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -79.866783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.866783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.866783 (E_RNA)
where:
Base-Base interactions energy: -33.129
where: short stacking energy: -33.129
Base-Backbone interact. energy: -0.038
local terms energy: -46.699858
where:
bonds (distance) C4'-P energy: -9.580
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -11.842
flat angles P-C4'-P energy: -6.977
tors. eta vs tors. theta energy: -5.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -88.152891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.152891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.152891 (E_RNA)
where:
Base-Base interactions energy: -37.500
where: short stacking energy: -37.500
Base-Backbone interact. energy: -0.107
local terms energy: -50.546234
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -11.636
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -7.615
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: 8
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -68.867677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.867677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.867677 (E_RNA)
where:
Base-Base interactions energy: -25.046
where: short stacking energy: -24.841
Base-Backbone interact. energy: -0.018
local terms energy: -43.803798
where:
bonds (distance) C4'-P energy: -9.689
bonds (distance) P-C4' energy: -11.841
flat angles C4'-P-C4' energy: -10.074
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -3.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -55.104151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.104151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.104151 (E_RNA)
where:
Base-Base interactions energy: -12.831
where: short stacking energy: -12.831
Base-Backbone interact. energy: -0.146
local terms energy: -42.127635
where:
bonds (distance) C4'-P energy: -7.279
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -10.566
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -1.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -63.921727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.921727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.921727 (E_RNA)
where:
Base-Base interactions energy: -26.845
where: short stacking energy: -15.672
Base-Backbone interact. energy: -0.038
local terms energy: -37.038693
where:
bonds (distance) C4'-P energy: -10.189
bonds (distance) P-C4' energy: -10.632
flat angles C4'-P-C4' energy: -7.451
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -0.721
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)
replica 2 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 17458985
moves confirmed later: 21502498
all moves confirmed: 38961483
percent of confirmed moves: 4.870185
current total energy: -91.694310
recalc. total energy: -91.694310
replica 1 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 16956575
moves confirmed later: 20814101
all moves confirmed: 37770676
percent of confirmed moves: 4.721335
current total energy: -93.984528
recalc. total energy: -93.984528
replica 4 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 15859877
moves confirmed later: 19272311
all moves confirmed: 35132188
percent of confirmed moves: 4.391523
current total energy: -34.934047
recalc. total energy: -34.934047
replica 10 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 17356525
moves confirmed later: 21402301
all moves confirmed: 38758826
percent of confirmed moves: 4.844853
current total energy: -58.234751
recalc. total energy: -58.234751
replica 7 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 17828018
moves confirmed later: 22040718
all moves confirmed: 39868736
percent of confirmed moves: 4.983592
current total energy: -59.619414
recalc. total energy: -59.619414
replica 9 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 17956715
moves confirmed later: 22199391
all moves confirmed: 40156106
percent of confirmed moves: 5.019513
current total energy: -50.599786
recalc. total energy: -50.599786
replica 8 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 17038638
moves confirmed later: 20970130
all moves confirmed: 38008768
percent of confirmed moves: 4.751096
current total energy: -21.093531
recalc. total energy: -21.093531
replica 5 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 16585548
moves confirmed later: 20334691
all moves confirmed: 36920239
percent of confirmed moves: 4.615030
current total energy: -29.907372
recalc. total energy: -29.907372
replica 3 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 18574712
moves confirmed later: 23066664
all moves confirmed: 41641376
percent of confirmed moves: 5.205172
current total energy: -27.090978
recalc. total energy: -27.090978
replica 6 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 17208791
moves confirmed later: 21122744
all moves confirmed: 38331535
percent of confirmed moves: 4.791442
current total energy: 3.233435
recalc. total energy: 3.233435
out arg RESULTS//1/pbt-A3-e0a6276a_01
Time of doing 8000000 iterations: 1454.089 seconds